data_2leb_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 2leb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.448 0.642 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.85 148.12 19.76 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 96.4 mtt180 -66.23 152.22 94.51 Favored Pre-proline 0 N--CA 1.448 -0.534 0 C-N-CA 122.535 0.334 . . . . 0.0 110.643 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 75.1 Cg_exo -49.8 148.73 11.95 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 124.461 3.441 . . . . 0.0 112.041 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.81 160.41 40.74 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.714 2.943 . . . . 0.0 111.086 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.1 39.38 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 1 C-N-CA 125.616 4.211 . . . . 0.0 111.145 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -129.31 15.29 6.13 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.063 0.545 . . . . 0.0 111.482 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.25 -10.05 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.23 0.612 . . . . 0.0 112.325 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.67 -7.06 53.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.965 0.506 . . . . 0.0 112.031 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.75 12.46 0.31 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.627 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.475 ' HG2' ' H ' ' A' ' 15' ' ' SER . 57.3 ttm -61.38 141.05 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.99 0.916 . . . . 0.0 110.952 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.5 m -73.05 -29.11 62.73 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.475 ' H ' ' HG2' ' A' ' 13' ' ' MET . 32.8 m 55.96 41.59 29.68 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 124.511 1.125 . . . . 0.0 113.256 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 tp -68.73 144.78 54.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 15.0 pttp -126.97 165.46 19.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.014 0.825 . . . . 0.0 111.846 170.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 92.1 t -140.06 138.52 37.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.928 0.891 . . . . 0.0 109.701 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.95 -177.56 6.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.09 1.356 . . . . 0.0 111.056 -175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 91.03 -0.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.322 2.249 . . . . 0.0 113.526 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' H ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.85 179.64 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.841 0.856 . . . . 0.0 111.527 176.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -92.04 169.73 10.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.226 0.536 . . . . 0.0 112.076 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -74.75 7.13 3.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.348 0.659 . . . . 0.0 111.472 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -122.52 -11.44 8.29 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 124.047 0.939 . . . . 0.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -66.44 165.62 14.0 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -143.86 157.44 57.99 Favored Pre-proline 0 C--O 1.233 0.217 0 C-N-CA 122.683 0.393 . . . . 0.0 110.129 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.24 -24.25 23.42 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.875 2.384 . . . . 0.0 112.891 -172.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.0 -28.18 65.3 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -55.22 8.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.39 -29.17 69.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.156 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -61.43 -46.68 89.08 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ttm105 -81.43 -38.69 26.08 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.714 0.406 . . . . 0.0 111.042 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.08 -34.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.262 1.025 . . . . 0.0 111.424 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 33.1 m-85 -100.76 -11.38 19.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.09 -25.8 67.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.391 0.277 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.99 -22.25 59.68 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 122.825 0.45 . . . . 0.0 111.887 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 74.8 m-85 -74.41 -14.77 60.9 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.52 -60.93 0.46 Allowed Glycine 0 C--N 1.34 0.769 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.385 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -153.29 96.61 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.546 0.688 . . . . 0.0 111.401 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.04 59.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . -51.17 -21.89 6.2 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 124.788 1.185 . . . . 0.0 112.671 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -159.02 162.26 36.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 117.924 0.862 . . . . 0.0 110.493 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -157.41 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -151.32 161.9 41.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -142.8 89.73 7.95 Favored Pre-proline 0 CA--C 1.529 0.159 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.34 25.92 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.711 3.608 . . . . 0.0 112.376 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HB2' ' H ' ' A' ' 55' ' ' ARG . 34.2 ptt180 -32.47 -58.38 0.33 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.888 1.275 . . . . 0.0 112.466 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.447 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 3.7 m-20 -156.89 -178.53 7.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -139.66 15.29 2.52 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 110.42 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -134.7 -11.39 2.35 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.024 0.53 . . . . 0.0 111.311 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.6 p -138.64 -18.13 1.09 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.655 0.782 . . . . 0.0 111.224 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' H ' ' HB2' ' A' ' 48' ' ' ASP . 96.4 mttt 35.47 56.51 0.87 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 126.748 2.019 . . . . 0.0 113.284 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -147.83 -0.52 0.62 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -62.54 -46.54 87.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.887 1.221 . . . . 0.0 111.19 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' H ' ' HB2' ' A' ' 47' ' ' ARG . 4.7 ptm180 36.57 19.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.359 2.664 . . . . 0.0 116.498 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.22 -8.87 80.23 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.899 -0.501 . . . . 0.0 112.887 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -158.0 -179.39 8.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.715 0.758 . . . . 0.0 110.311 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.93 -177.29 5.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.922 0.889 . . . . 0.0 109.46 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -144.18 75.6 1.47 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.936 0.895 . . . . 0.0 109.143 -177.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 13.1 t -76.15 151.1 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -147.89 155.39 41.55 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-N 119.275 0.943 . . . . 0.0 113.391 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -128.82 159.88 34.34 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.408 1.083 . . . . 0.0 109.835 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.45 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 29.0 m-70 -124.04 -2.88 8.13 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -125.76 134.6 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.25 -26.57 67.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -170.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.35 -39.85 64.87 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.355 0.98 . . . . 0.0 110.162 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.44 -26.91 34.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.87 65.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.821 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.43 -36.08 76.31 Favored 'General case' 0 N--CA 1.457 -0.101 0 O-C-N 121.933 -0.479 . . . . 0.0 110.701 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -70.12 -38.01 75.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.881 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.23 71.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.464 -0.303 . . . . 0.0 111.403 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.404 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 23.7 ptt? -93.35 -25.66 17.61 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.292 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.34 -8.8 56.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.299 0.24 . . . . 0.0 111.299 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.19 -10.0 2.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.562 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 6.7 mmt -112.07 -28.04 8.15 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.399 0.999 . . . . 0.0 112.818 174.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.44 116.11 4.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 120.008 1.276 . . . . 0.0 110.213 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.82 3.39 62.33 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.218 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.41 -176.01 1.42 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.154 0.977 . . . . 0.0 110.209 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.21 118.39 17.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.11 -56.69 6.94 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -151.05 -0.56 0.37 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.26 -6.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.352 -0.693 . . . . 0.0 113.684 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -118.43 -172.31 2.25 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-N 118.192 0.996 . . . . 0.0 109.224 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -95.4 169.13 10.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.638 0.256 . . . . 0.0 110.833 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.02 157.03 29.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -136.84 143.92 43.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.2 p -162.19 126.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -164.56 167.85 18.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.64 143.45 57.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.96 177.61 2.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.739 0.415 . . . . 0.0 111.322 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -136.01 -8.59 2.07 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 112.293 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -134.22 165.4 25.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.728 0.642 . . . . 0.0 110.051 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.99 10.6 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -174.24 162.47 2.84 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.936 1.694 . . . . 0.0 106.455 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -61.52 143.12 96.93 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 124.052 3.168 . . . . 0.0 110.969 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.26 -22.37 4.93 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.513 2.809 . . . . 0.0 114.176 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -157.56 18.15 0.27 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.458 -0.06 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.91 175.01 36.78 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -60.39 154.42 53.89 Favored Pre-proline 0 N--CA 1.448 -0.558 0 C-N-CA 123.996 0.918 . . . . 0.0 111.947 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -71.09 163.88 37.67 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 124.643 3.562 . . . . 0.0 109.793 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.44 154.3 69.18 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.699 2.266 . . . . 0.0 110.396 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.59 19.42 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 124.44 3.427 . . . . 0.0 112.551 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -134.68 20.12 3.57 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.591 0.632 . . . . 0.0 111.795 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.46 -20.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 O-C-N 121.756 -0.59 . . . . 0.0 110.448 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.16 1.01 12.17 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.783 0.833 . . . . 0.0 111.608 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.75 17.82 3.02 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.554 0.597 . . . . 0.0 111.652 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.1 mtm -143.72 174.51 10.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.784 0.833 . . . . 0.0 109.86 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -66.18 168.76 8.02 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -154.08 57.56 0.72 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.718 0.407 . . . . 0.0 110.652 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 21.6 tp -69.83 150.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 36.4 tttp -126.12 154.69 42.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.829 0.852 . . . . 0.0 109.945 174.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 71.6 t -136.57 136.55 48.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 124.306 1.042 . . . . 0.0 108.301 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.06 179.24 9.33 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t30 84.38 18.46 0.17 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.83 2.052 . . . . 0.0 114.075 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.3 169.36 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -81.24 169.81 16.86 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -71.18 8.17 1.06 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.827 0.451 . . . . 0.0 111.653 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -130.55 -7.87 4.13 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.039 0.936 . . . . 0.0 111.989 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -71.02 162.75 28.9 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.982 0.356 . . . . 0.0 110.142 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.77 156.32 62.73 Favored Pre-proline 0 N--CA 1.455 -0.192 0 C-N-CA 123.203 0.601 . . . . 0.0 109.454 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.56 -17.85 29.67 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 122.841 2.361 . . . . 0.0 112.149 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -76.11 -31.05 58.49 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -50.21 34.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.53 -31.85 73.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.311 0.382 . . . . 0.0 110.762 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.36 -48.01 83.27 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -81.28 -37.12 28.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.688 0.395 . . . . 0.0 111.061 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.09 -36.01 69.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 124.008 0.923 . . . . 0.0 111.419 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 32.4 m-85 -99.07 -11.71 21.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.85 -25.07 67.75 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.51 0.324 . . . . 0.0 111.534 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.12 -20.88 57.24 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.554 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 58.4 m-85 -77.15 -14.95 59.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.15 0.281 . . . . 0.0 110.826 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.1 -73.06 0.26 Allowed Glycine 0 C--N 1.341 0.849 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.483 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -150.21 101.68 3.02 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-O 122.167 0.984 . . . . 0.0 111.515 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.5 55.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.21 -17.63 4.15 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 124.544 1.069 . . . . 0.0 113.843 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -155.23 157.91 38.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.98 0.89 . . . . 0.0 109.76 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.39 131.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.51 156.53 43.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mt -145.5 94.76 5.1 Favored Pre-proline 0 C--O 1.231 0.124 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 24.7 Cg_exo -63.19 -22.23 72.64 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.471 3.447 . . . . 0.0 116.946 -173.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 32.07 -110.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.015 0.926 . . . . 0.0 109.223 -166.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 50' ' ' TYR . 17.0 m-20 -146.39 128.34 15.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -71.9 21.04 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -171.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 48' ' ' ASP . 8.9 m-85 -134.92 -7.02 2.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 111.348 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 p -140.62 -29.43 0.68 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.233 0.613 . . . . 0.0 110.436 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 48.54 33.48 4.12 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.056 1.743 . . . . 0.0 113.437 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -135.83 11.61 3.39 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -60.3 -30.47 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.715 0.689 . . . . 0.0 111.654 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 24.33 75.37 0.02 OUTLIER 'General case' 0 C--N 1.342 0.241 0 C-N-CA 126.719 2.008 . . . . 0.0 113.83 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.49 -1.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.473 -0.626 . . . . 0.0 113.551 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 23.0 p90 -157.87 179.5 9.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.391 1.095 . . . . 0.0 109.958 177.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.88 -176.16 5.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.408 0.623 . . . . 0.0 111.279 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -149.05 56.11 1.0 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.48 1.512 . . . . 0.0 108.306 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.88 144.64 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 18.5 ttp180 -144.71 154.92 43.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -172.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.09 164.02 21.8 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.648 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.95 8.94 5.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.8 131.78 37.91 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -63.77 -34.71 78.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -69.03 -38.88 79.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.582 0.628 . . . . 0.0 110.644 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -77.12 -27.5 54.04 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -35.76 51.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.453 0.301 . . . . 0.0 111.539 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -71.19 -33.07 69.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.23 -0.294 . . . . 0.0 110.482 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -71.56 -38.21 71.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.385 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.27 72.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 119.392 -0.337 . . . . 0.0 111.546 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -90.08 -28.42 19.02 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 118.589 0.632 . . . . 0.0 110.63 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.82 -8.56 44.64 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.883 -0.511 . . . . 0.0 111.294 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.47 -7.96 3.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.554 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 6.2 mmt -120.69 -24.98 5.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.81 0.732 . . . . 0.0 112.917 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.24 126.09 28.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 119.815 1.189 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.55 0.92 90.37 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 123.174 0.416 . . . . 0.0 112.324 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.71 -178.77 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.477 0.638 . . . . 0.0 110.449 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.23 143.4 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.324 0.583 . . . . 0.0 111.022 -174.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 82' ' ' GLY . 67.1 tp -149.81 139.39 21.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.9 t70 54.68 0.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.654 1.582 . . . . 0.0 113.192 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.91 -1.6 31.74 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 177.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -94.6 -158.41 0.63 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 117.72 0.76 . . . . 0.0 109.813 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -113.7 166.65 11.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.6 152.32 51.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 16.8 mmt180 -140.19 141.21 35.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.859 0.361 . . . . 0.0 111.231 -170.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -151.43 124.1 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.03 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -163.31 166.17 23.35 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 123.039 0.536 . . . . 0.0 109.845 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.79 146.15 54.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.55 0.34 . . . . 0.0 110.714 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.23 177.55 3.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.577 0.751 . . . . 0.0 112.704 -175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.09 175.3 9.7 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.726 1.21 . . . . 0.0 109.985 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 49.69 -159.84 0.06 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.806 0.842 . . . . 0.0 112.662 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.21 16.01 3.67 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 119.118 -0.823 . . . . 0.0 111.674 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 119.63 155.54 0.0 OUTLIER Pre-proline 0 C--N 1.343 0.31 0 C-N-CA 130.978 3.711 . . . . 0.0 109.315 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -44.92 132.69 10.82 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.554 3.502 . . . . 0.0 113.087 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -81.43 -19.9 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.668 2.912 . . . . 0.0 113.039 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -159.03 10.9 0.14 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.332 -0.158 0 O-C-N 121.751 -0.593 . . . . 0.0 111.495 -179.667 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.68 177.24 44.58 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -55.31 148.91 29.49 Favored Pre-proline 0 N--CA 1.448 -0.571 0 C-N-CA 123.739 0.815 . . . . 0.0 110.372 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 157.42 57.13 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 124.345 3.363 . . . . 0.0 111.213 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -53.73 157.95 9.15 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.936 3.091 . . . . 0.0 112.249 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.36 171.49 17.97 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.769 2.979 . . . . 0.0 111.036 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 56.08 17.62 2.77 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.018 1.327 . . . . 0.0 112.528 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.62 -13.36 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 122.059 -0.4 . . . . 0.0 111.254 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -72.49 -2.8 21.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.707 0.803 . . . . 0.0 111.452 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.35 36.03 1.3 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.638 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.56 172.79 11.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.827 0.813 . . . . 0.0 110.406 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.1 m -56.37 -34.12 66.35 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.836 0.855 . . . . 0.0 112.631 -172.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.7 m 42.26 43.07 2.8 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.39 1.076 . . . . 0.0 113.208 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 89' ' ' MET . 2.4 tm? -69.72 114.26 7.76 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 11.1 pttp -104.03 169.49 8.47 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 97.6 t -138.81 139.05 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.091 0.956 . . . . 0.0 109.786 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.68 -174.65 4.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.432 1.093 . . . . 0.0 112.176 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 77.79 -4.61 2.23 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 127.167 2.187 . . . . 0.0 114.422 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -54.97 168.24 0.32 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.068 0.849 . . . . 0.0 111.777 176.09 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.5 p -70.08 163.35 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.248 0.546 . . . . 0.0 111.984 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -74.18 7.15 2.92 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.821 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -118.74 -14.83 9.51 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.057 0.943 . . . . 0.0 111.526 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 m -70.04 169.07 14.14 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 72.5 m -141.71 158.71 62.17 Favored Pre-proline 0 C--N 1.331 -0.2 0 C-N-CA 122.632 0.373 . . . . 0.0 110.287 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 57.6 Cg_endo -69.67 -21.59 33.68 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.973 2.449 . . . . 0.0 112.5 -174.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.49 -30.42 53.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -48.27 62.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.57 -30.13 71.29 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.89 -43.89 97.86 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -84.85 -39.02 18.79 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 117.932 0.333 . . . . 0.0 110.875 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.25 -32.01 43.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.729 0.812 . . . . 0.0 111.128 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.464 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.1 m-85 -108.05 -10.35 15.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.957 0.344 . . . . 0.0 111.727 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.21 -26.22 65.61 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.357 -0.214 . . . . 0.0 111.084 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.51 -19.76 63.72 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.03 -0.419 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.551 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 55.7 m-85 -80.5 -8.86 59.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.136 0.574 . . . . 0.0 111.009 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.73 -84.79 0.15 Allowed Glycine 0 C--N 1.338 0.681 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -152.63 126.64 9.07 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -56.23 -20.49 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 119.407 -0.33 . . . . 0.0 111.81 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.64 -49.43 2.03 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 124.98 1.276 . . . . 0.0 111.981 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.69 163.13 29.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.029 0.932 . . . . 0.0 108.695 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.06 132.45 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -152.53 172.61 16.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.715 0.406 . . . . 0.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 47' ' ' ARG . 22.1 mt -140.54 101.8 6.63 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.31 12.69 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.378 1 C-N-CA 126.98 5.12 . . . . 0.0 116.408 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 45' ' ' ILE . 63.4 ttt180 -50.51 139.99 14.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.791 0.836 . . . . 0.0 109.61 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.49 136.4 32.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.0 0.428 . . . . 0.0 111.307 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -77.49 0.7 21.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.367 1.067 . . . . 0.0 112.756 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.25 -12.91 0.41 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -129.87 -13.26 4.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.112 0.415 . . . . 0.0 111.27 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.1 23.24 1.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.83 -0.06 41.69 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m -117.53 33.58 5.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -68.56 0.96 3.5 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.6 0.36 . . . . 0.0 111.17 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.51 -8.95 34.91 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.062 0.839 . . . . 0.0 114.148 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.73 -176.83 6.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 1.212 . . . . 0.0 110.682 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.85 -176.9 5.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.519 0.728 . . . . 0.0 110.446 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.33 79.46 1.58 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.214 0.606 . . . . 0.0 110.371 -176.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 99.4 t -76.35 159.97 5.09 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 169.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -157.09 103.41 2.02 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.611 1.096 . . . . 0.0 112.477 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -79.28 164.86 23.79 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.978 0.511 . . . . 0.0 109.919 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -131.22 10.03 4.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -133.68 129.59 37.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -61.38 -32.44 72.37 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -73.39 -39.39 65.14 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.836 0.744 . . . . 0.0 110.631 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.12 -29.71 54.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.05 71.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.206 0.602 . . . . 0.0 111.59 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.85 -34.37 73.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.741 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.39 -37.07 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.581 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.41 73.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.8 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -89.7 -29.06 19.02 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.497 0.589 . . . . 0.0 110.735 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.41 -9.87 51.37 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.875 0.307 . . . . 0.0 111.103 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.35 -7.11 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.551 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 5.0 mmt -122.97 -24.82 4.69 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 175.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.46 125.22 25.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 120.112 1.324 . . . . 0.0 109.859 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.77 0.79 88.69 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.226 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.51 -173.76 0.78 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.448 0.624 . . . . 0.0 111.071 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.0 145.65 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.404 0.682 . . . . 0.0 109.406 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.52 -52.52 2.81 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.183 0.593 . . . . 0.0 109.801 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.57 -5.59 0.93 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.82 -14.42 0.34 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.769 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -92.62 -157.44 0.53 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 117.522 0.661 . . . . 0.0 109.712 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -113.46 168.74 9.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.51 159.22 41.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -143.57 139.52 29.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.413 0.285 . . . . 0.0 110.598 -173.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.0 t -150.65 122.14 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -166.52 162.56 16.82 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.695 0.398 . . . . 0.0 110.708 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -62.88 151.66 38.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.932 0.493 . . . . 0.0 111.491 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.25 177.47 3.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -124.23 -12.22 7.39 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.75 0.82 . . . . 0.0 111.554 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -152.27 172.18 16.83 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.497 0.719 . . . . 0.0 109.387 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.87 10.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -153.57 152.06 26.56 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.966 1.707 . . . . 0.0 107.729 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -56.01 132.49 52.29 Favored 'Trans proline' 0 N--CA 1.455 -0.774 1 C-N-CA 125.384 4.056 . . . . 0.0 110.486 176.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.37 -30.59 43.85 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.753 2.969 . . . . 0.0 113.307 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -162.75 130.76 3.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.826 0.45 . . . . 0.0 110.251 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 CA--C 1.528 0.107 0 C-N-CA 123.413 0.685 . . . . 0.0 111.087 175.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 169.44 42.56 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptm85 -53.07 151.23 9.26 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 123.892 0.877 . . . . 0.0 111.091 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.6 152.37 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 124.274 3.316 . . . . 0.0 110.074 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.93 161.94 42.3 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.61 2.873 . . . . 0.0 111.302 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -81.79 178.53 6.43 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.148 3.232 . . . . 0.0 110.975 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 58.9 17.98 5.78 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.032 1.333 . . . . 0.0 113.317 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.48 -19.36 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 122.029 -0.419 . . . . 0.0 110.729 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.26 -0.62 6.4 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.368 0.667 . . . . 0.0 111.427 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.83 22.27 3.14 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.08 0.848 . . . . 0.0 111.413 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.0 mtm -140.85 170.48 15.67 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.667 0.787 . . . . 0.0 109.969 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -64.62 163.61 13.41 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.952 0.501 . . . . 0.0 109.885 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 m -149.93 56.52 0.96 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.782 0.433 . . . . 0.0 110.385 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 24.6 tp -70.0 147.37 50.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 28.8 tttp -126.39 156.29 40.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.665 0.603 . . . . 0.0 110.406 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 65.8 t -138.06 139.1 42.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 124.619 1.168 . . . . 0.0 109.145 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -158.12 172.55 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 112.085 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 103.97 20.05 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.41 2.684 . . . . 0.0 111.741 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 173.38 0.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -89.34 168.12 12.49 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 123.079 0.551 . . . . 0.0 110.973 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 6.94 0.85 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 111.666 176.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -128.71 -9.05 5.03 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.983 0.913 . . . . 0.0 111.816 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -67.51 163.32 21.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.672 0.389 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 54.6 m -144.68 160.87 45.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 C-N-CA 123.953 0.901 . . . . 0.0 109.106 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 55.9 Cg_endo -69.14 -20.15 38.16 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.196 1.931 . . . . 0.0 111.994 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.73 -32.74 35.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.75 0.704 . . . . 0.0 111.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -47.08 68.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.16 -23.97 66.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.724 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -65.42 -41.23 93.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.055 -0.403 . . . . 0.0 110.104 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -84.75 -39.96 17.85 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 122.354 0.262 . . . . 0.0 110.747 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.03 -35.32 51.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 123.142 0.577 . . . . 0.0 111.41 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -100.11 -11.5 20.45 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.66 -29.0 67.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.75 -21.46 60.19 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.523 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 71.7 m-85 -83.14 -17.32 43.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.29 0.236 . . . . 0.0 111.331 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.25 -159.01 27.04 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -61.19 87.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.398 1.479 . . . . 0.0 112.541 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.54 61.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.11 -14.22 31.26 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.037 1.303 . . . . 0.0 113.427 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 2.8 t0 -151.21 162.94 39.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.765 0.782 . . . . 0.0 109.208 172.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 7.1 p -158.18 29.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -169.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.37 157.49 29.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -167.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.61 92.24 6.57 Favored Pre-proline 0 C--N 1.333 -0.11 0 C-N-CA 126.817 2.047 . . . . 0.0 106.155 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.59 21.99 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 1 C-N-CA 125.37 4.047 . . . . 0.0 115.754 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -49.53 145.56 4.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.582 1.083 . . . . 0.0 109.269 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' TYR . 4.3 m-20 -40.65 121.98 1.57 Allowed 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 111.988 -169.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -70.34 12.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' ASP . 3.9 m-85 -137.25 -19.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.7 p -141.47 -2.41 1.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 37.56 55.73 1.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.364 1.466 . . . . 0.0 113.33 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -119.73 19.82 12.43 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' GLY . 67.2 m -128.65 32.68 4.77 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.897 0.479 . . . . 0.0 111.023 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.14 -4.72 0.85 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.77 1.228 . . . . 0.0 111.926 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.34 3.4 2.49 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.033 1.302 . . . . 0.0 114.757 -175.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -153.8 172.95 16.54 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.175 1.488 . . . . 0.0 110.588 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.08 175.11 10.11 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.351 0.66 . . . . 0.0 111.424 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.6 62.04 0.81 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.309 1.443 . . . . 0.0 108.087 -177.516 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 13.4 t -75.85 144.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 22.3 ttp180 -144.94 157.92 43.98 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -126.94 159.07 35.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.137 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -126.89 14.37 7.41 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.132 0.573 . . . . 0.0 112.278 -174.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.93 136.61 35.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -63.74 -29.49 70.7 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.92 -41.53 61.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.741 0.7 . . . . 0.0 110.099 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -73.14 -29.48 62.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.49 35.67 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.763 -0.586 . . . . 0.0 110.424 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.76 -38.6 64.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.493 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.14 72.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.534 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.35 -29.43 20.3 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.643 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.98 -8.26 47.52 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.236 -0.29 . . . . 0.0 111.248 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.34 -7.17 2.95 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.523 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 3.9 mmt -123.92 -16.53 6.57 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.49 58.71 1.04 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.722 1.147 . . . . 0.0 111.639 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.48 -4.7 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.904 0.764 . . . . 0.0 112.182 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -177.23 1.02 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.703 0.801 . . . . 0.0 111.972 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.8 t -131.88 135.77 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.807 0.843 . . . . 0.0 108.963 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tt -92.81 -50.74 5.42 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.643 0.377 . . . . 0.0 110.423 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.85 -1.78 0.57 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.967 0.507 . . . . 0.0 112.095 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.09 -6.26 0.16 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 118.75 0.705 . . . . 0.0 113.727 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -115.77 -165.93 1.09 Allowed 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.283 1.042 . . . . 0.0 109.19 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.85 168.0 9.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -173.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.5 mt -129.5 157.85 40.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -135.38 136.51 41.51 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.5 t -148.18 119.79 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -160.61 168.38 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.041 0.536 . . . . 0.0 109.818 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.98 149.4 49.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.103 0.478 . . . . 0.0 111.418 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.32 -176.8 5.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.523 0.729 . . . . 0.0 112.395 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -139.85 177.33 8.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.02 0.928 . . . . 0.0 110.491 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 50.87 -163.05 0.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.973 0.909 . . . . 0.0 112.178 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.67 -33.76 0.37 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 146.1 11.89 Favored Pre-proline 0 N--CA 1.44 -0.961 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 169.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -58.0 117.18 3.85 Favored 'Trans proline' 0 N--CA 1.453 -0.856 1 C-N-CA 125.743 4.295 . . . . 0.0 111.097 174.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.61 -1.16 11.36 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 124.149 3.233 . . . . 0.0 112.066 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -120.88 25.01 9.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.232 0.153 0 C-N-CA 122.758 0.423 . . . . 0.0 111.003 -179.438 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.89 170.09 39.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -64.94 150.05 95.67 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.577 0.751 . . . . 0.0 111.245 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.16 160.19 6.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.926 3.751 . . . . 0.0 112.323 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.88 158.32 57.19 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.546 2.164 . . . . 0.0 110.193 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.55 20.64 0.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.952 3.768 . . . . 0.0 113.037 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.26 11.42 3.54 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.832 0.742 . . . . 0.0 111.972 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.92 -11.46 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.859 -0.525 . . . . 0.0 111.521 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.58 -0.49 26.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.965 0.506 . . . . 0.0 111.459 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 30.56 0.44 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -143.4 162.92 34.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.227 0.611 . . . . 0.0 109.927 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -56.27 152.25 11.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.076 0.55 . . . . 0.0 110.779 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 m -149.0 53.23 0.97 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.491 0.716 . . . . 0.0 110.058 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.8 tm? -68.77 98.59 0.93 Allowed 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.553 0.741 . . . . 0.0 109.895 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 40.4 tttp -81.07 155.24 26.41 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.497 0.719 . . . . 0.0 111.411 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 71.9 t -135.48 136.03 51.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.599 1.16 . . . . 0.0 108.738 176.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -157.32 -178.31 7.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 112.721 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t30 82.67 1.17 1.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.35 2.26 . . . . 0.0 114.456 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.616 ' H ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.47 173.53 0.26 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.749 0.82 . . . . 0.0 112.952 176.268 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 p -71.28 167.97 18.32 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 121.785 0.803 . . . . 0.0 112.586 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -76.33 11.19 1.64 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.138 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -127.6 -10.51 5.62 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.839 0.856 . . . . 0.0 111.55 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -69.05 164.7 21.84 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 64.4 m -138.39 163.26 48.48 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 66.6 Cg_endo -71.44 -21.19 26.5 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 121.857 1.705 . . . . 0.0 110.943 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.25 -33.33 63.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.316 -0.24 . . . . 0.0 110.947 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -38.02 61.93 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -71.82 -39.76 69.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.38 -44.11 68.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -71.1 -55.71 7.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 p -66.88 -25.97 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -173.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 43.5 m-85 -89.5 -14.86 34.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.991 0.36 . . . . 0.0 111.025 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -59.22 -22.14 60.61 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -85.3 -20.85 29.39 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.844 -0.535 . . . . 0.0 112.083 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -82.22 -18.79 41.34 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 122.292 0.237 . . . . 0.0 110.548 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.23 -157.02 27.26 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-O 122.082 0.823 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -67.11 86.87 0.15 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 112.044 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.87 53.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.99 -13.29 13.54 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.04 1.305 . . . . 0.0 113.753 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -154.89 154.69 33.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.407 1.104 . . . . 0.0 109.261 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.01 132.43 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -146.67 161.2 41.07 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mt -145.77 90.98 5.75 Favored Pre-proline 0 C--O 1.232 0.157 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.0 -28.11 85.79 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.632 2.888 . . . . 0.0 114.414 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 30.6 ptt180 21.91 -101.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.114 1.766 . . . . 0.0 110.985 -172.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.555 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 14.2 m-20 -143.1 127.01 17.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 169.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.32 8.36 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -143.66 -14.06 0.66 Allowed 'General case' 0 C--N 1.339 0.128 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.9 p -138.76 -5.27 1.53 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 38.37 28.23 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.471 1.908 . . . . 0.0 115.296 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.43 12.01 11.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 56' ' ' GLY . 42.9 m -132.68 37.3 3.48 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.211 0.459 . . . . 0.0 112.006 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -65.48 8.24 0.18 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.898 0.879 . . . . 0.0 112.606 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -72.14 8.38 6.66 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.297 0.951 . . . . 0.0 113.684 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -157.44 177.22 11.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.449 1.124 . . . . 0.0 110.431 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.1 -173.47 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.051 0.54 . . . . 0.0 110.895 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.58 58.46 1.06 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.447 1.499 . . . . 0.0 107.634 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 15.4 t -66.72 148.73 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 174.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 16.1 ttp180 -143.68 143.78 31.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 119.057 0.844 . . . . 0.0 113.076 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -115.79 156.94 25.14 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.633 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -122.52 13.14 10.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.563 0.745 . . . . 0.0 112.462 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -140.74 136.02 32.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.86 -23.0 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.14 -40.54 67.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.276 0.943 . . . . 0.0 109.94 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.36 -30.71 60.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.1 74.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.724 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.07 -33.26 71.68 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -73.22 -39.52 65.45 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.54 0.609 . . . . 0.0 110.689 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.76 72.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.956 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -87.99 -28.41 21.45 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.639 0.654 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.39 -9.18 52.39 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.377 -0.202 . . . . 0.0 111.254 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.3 -4.49 3.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.4 mmt -124.35 -22.89 4.6 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.086 0.857 . . . . 0.0 113.213 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.57 125.71 27.04 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.942 1.246 . . . . 0.0 109.818 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.8 3.45 83.93 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.817 -0.435 . . . . 0.0 112.118 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 -177.08 1.3 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.684 0.742 . . . . 0.0 111.522 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.1 t -141.1 148.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 108.997 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.71 -7.39 1.27 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -155.85 7.97 0.24 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.341 0.518 . . . . 0.0 112.211 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.9 36.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -112.67 -149.98 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.552 0.741 . . . . 0.0 109.034 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -124.49 164.94 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.401 0.68 . . . . 0.0 109.479 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.05 156.27 48.97 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -141.83 142.67 33.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.065 0.459 . . . . 0.0 111.227 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.2 t -152.82 123.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.598 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -167.55 162.77 14.51 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 122.598 0.359 . . . . 0.0 110.111 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.0 151.81 41.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.2 172.9 2.77 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.65 0.38 . . . . 0.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -135.95 -5.77 2.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -132.34 174.71 9.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.537 0.735 . . . . 0.0 110.445 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.39 11.51 26.14 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.744 -1.031 . . . . 0.0 111.981 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 118.3 154.17 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.278 0 C-N-CA 130.511 3.524 . . . . 0.0 109.696 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -47.61 128.74 15.9 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.47 3.447 . . . . 0.0 111.642 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -79.13 -11.7 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.347 2.698 . . . . 0.0 111.973 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -157.28 31.35 0.29 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.826 0.45 . . . . 0.0 110.696 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 124.494 1.117 . . . . 0.0 111.57 -174.278 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 121.821 0.82 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 19.07 0.37 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -152.02 131.46 6.8 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.9 120.17 5.68 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.445 2.764 . . . . 0.0 112.12 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.1 169.09 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.865 3.043 . . . . 0.0 109.87 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.52 156.85 60.5 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.234 2.623 . . . . 0.0 109.549 173.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -154.96 11.48 0.36 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.62 -2.89 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.0 -9.58 58.26 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.578 -0.701 . . . . 0.0 112.022 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.62 28.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.555 -0.58 . . . . 0.0 111.662 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -138.09 -175.48 4.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.162 0.585 . . . . 0.0 110.688 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -123.29 -173.07 2.64 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.056 0.942 . . . . 0.0 108.696 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -149.24 126.58 11.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.922 -0.487 . . . . 0.0 110.805 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.25 111.9 15.78 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.171 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 50.5 tttp -77.77 142.52 38.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 123.82 0.7 . . . . 0.0 111.291 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 50.3 t -128.14 134.4 65.12 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -152.15 -172.79 4.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.577 1.151 . . . . 0.0 112.3 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.49 89.85 0.07 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 112.499 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' CD2' HD13 ' A' ' 30' ' ' LEU . 1.8 pp -139.4 171.85 13.66 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.932 0.493 . . . . 0.0 112.002 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.439 ' C ' ' H ' ' A' ' 24' ' ' ARG . 79.0 p -67.02 164.38 17.9 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 121.188 0.518 . . . . 0.0 111.572 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.48 12.14 0.38 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 0.0 111.295 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 22' ' ' THR . 31.5 mmm180 -128.13 -16.73 4.47 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.253 0.621 . . . . 0.0 112.311 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.7 m -65.16 160.72 20.64 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.571 0.623 . . . . 0.0 109.59 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.435 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 11.7 p -141.98 167.49 16.57 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.609 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 59.0 Cg_endo -68.79 -19.27 41.23 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.386 2.058 . . . . 0.0 111.6 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.17 -32.17 44.14 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -52.7 39.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 21' ' ' LEU . 60.2 mt -61.83 -35.04 77.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.96 -42.95 86.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -86.07 -37.43 18.87 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 122.985 0.514 . . . . 0.0 111.668 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.9 -33.86 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 110.828 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 41.3 m-85 -106.43 -11.13 16.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.569 0.348 . . . . 0.0 111.864 -174.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -69.07 -20.85 64.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.231 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.06 -18.97 62.54 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 122.062 -0.399 . . . . 0.0 111.746 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 62.5 m-85 -86.41 -16.87 35.9 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.702 0.801 . . . . 0.0 110.97 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.73 -172.58 23.56 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -66.99 113.02 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.25 -6.47 3.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.439 ' CA ' ' CD2' ' A' ' 63' ' ' HIS . . . 69.49 -60.96 0.64 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 125.814 1.674 . . . . 0.0 113.313 174.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -152.45 169.84 21.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 109.495 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.0 t -143.91 137.25 24.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -151.62 163.16 39.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.17 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 47' ' ' ARG . 56.2 mt -144.33 100.43 4.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 176.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -54.65 20.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 1 C-N-CA 126.923 5.082 . . . . 0.0 116.877 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 45' ' ' ILE . 52.0 ttp180 -47.1 122.72 4.68 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.68 131.95 25.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.113 0.482 . . . . 0.0 111.125 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -67.07 -4.92 11.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.802 1.241 . . . . 0.0 113.692 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -144.0 -11.1 0.66 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -135.52 -4.0 2.33 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 118.422 0.555 . . . . 0.0 111.814 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 46.88 19.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.612 1.565 . . . . 0.0 114.829 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 15.58 0.1 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -134.58 17.91 3.61 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.488 0.585 . . . . 0.0 111.297 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -11.52 27.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.981 0.913 . . . . 0.0 111.937 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.97 4.23 58.48 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.161 -0.8 . . . . 0.0 114.373 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -154.74 -175.13 5.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 1.442 . . . . 0.0 110.974 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.2 -176.72 5.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.247 0.546 . . . . 0.0 111.882 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.47 71.51 0.94 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 109.235 -178.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 1.3 m -69.32 163.05 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -147.57 84.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.858 0.754 . . . . 0.0 112.689 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.75 148.13 47.67 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.439 ' CD2' ' CA ' ' A' ' 41' ' ' GLY . 53.3 m-70 -104.77 -8.66 18.64 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.923 0.765 . . . . 0.0 112.258 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -127.45 132.01 50.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.431 0.634 . . . . 0.0 109.774 -175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -67.89 -27.14 66.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.569 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -71.18 -43.11 68.1 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 118.618 0.645 . . . . 0.0 110.186 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -71.85 -28.46 63.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.27 -40.7 43.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.52 -32.19 71.97 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.832 -0.542 . . . . 0.0 110.857 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -73.44 -39.26 65.13 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.377 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.291 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -88.57 -28.17 20.9 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.515 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.75 -10.0 59.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.097 0.159 . . . . 0.0 111.371 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.29 -6.7 4.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.555 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 4.9 mmt -119.95 -23.35 6.42 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.01 122.19 17.21 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 120.177 1.353 . . . . 0.0 110.21 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.34 3.09 81.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.226 0.441 . . . . 0.0 112.112 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.32 -173.47 1.71 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.502 0.651 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.8 t -137.65 147.58 26.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.793 0.837 . . . . 0.0 109.993 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 82' ' ' GLY . 19.2 tp -148.37 119.76 7.89 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.348 1.059 . . . . 0.0 108.285 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t70 62.7 -11.26 0.08 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.855 0.862 . . . . 0.0 112.906 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 131.84 -3.56 5.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 118.476 0.58 . . . . 0.0 111.975 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -74.93 -163.75 0.24 Allowed 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 124.46 1.104 . . . . 0.0 111.743 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.94 158.08 29.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.7 mt -132.52 150.4 52.16 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 27.1 mmt180 -142.85 135.13 27.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.175 0.59 . . . . 0.0 110.215 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.1 t -151.77 124.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 123.848 0.859 . . . . 0.0 108.741 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -163.02 165.15 25.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.37 145.98 52.5 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.49 0.316 . . . . 0.0 110.315 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.94 9.85 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 111.371 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -146.11 -175.57 4.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.374 0.669 . . . . 0.0 110.94 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 56.26 -169.62 0.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.689 1.195 . . . . 0.0 112.91 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.92 43.16 1.3 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.894 -1.283 . . . . 0.0 109.894 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 67.03 151.85 0.12 Allowed Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.523 1.929 . . . . 0.0 112.486 -174.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.23 120.55 5.75 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 125.3 4.0 . . . . 0.0 112.565 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -85.0 -15.73 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.452 2.768 . . . . 0.0 113.128 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -155.27 15.89 0.4 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.243 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.64 169.8 42.81 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -56.52 152.51 24.64 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 123.66 0.784 . . . . 0.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.19 159.69 52.21 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.403 3.402 . . . . 0.0 110.466 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.06 153.16 12.91 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.654 2.903 . . . . 0.0 112.488 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.25 9.71 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 124.237 3.292 . . . . 0.0 112.193 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' A' ' 11' ' ' GLU . 27.1 t0 -139.27 24.22 2.51 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.773 -0.579 . . . . 0.0 111.527 -173.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.0 12.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.164 0.585 . . . . 0.0 112.057 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 9' ' ' ASP . 37.1 mt-10 -124.68 11.21 8.47 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.783 0.833 . . . . 0.0 109.793 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.32 17.9 2.09 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.075 0.845 . . . . 0.0 111.509 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.3 mtm -140.34 172.6 12.5 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.713 0.805 . . . . 0.0 110.014 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -63.52 159.25 19.03 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -150.76 125.75 9.84 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 98.17 5.01 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.175 0.297 . . . . 0.0 110.917 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 51.0 tttp -66.37 148.98 51.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.851 0.86 . . . . 0.0 111.031 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -133.66 131.87 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.89 -169.28 3.29 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.456 1.102 . . . . 0.0 111.101 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 53.7 98.34 0.01 OUTLIER 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.383 1.473 . . . . 0.0 111.975 -170.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -146.22 175.25 10.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.461 0.704 . . . . 0.0 110.96 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -83.28 168.91 16.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.404 0.621 . . . . 0.0 111.538 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.29 8.22 1.08 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.26 0.624 . . . . 0.0 111.229 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.62 -8.88 5.64 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 111.925 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -68.37 161.83 26.63 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -142.78 161.02 51.28 Favored Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 122.671 0.388 . . . . 0.0 110.098 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.39 -21.11 35.69 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.786 1.657 . . . . 0.0 111.376 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.32 -36.28 68.84 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.943 0.338 . . . . 0.0 110.562 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -52.49 42.89 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 mt -58.24 -30.09 66.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.536 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.26 -47.03 86.16 Favored 'General case' 0 C--O 1.225 -0.229 0 O-C-N 122.052 -0.405 . . . . 0.0 110.147 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.663 0.665 . . . . 0.0 112.401 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 30' ' ' LEU . 14.9 m -63.76 -24.44 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.646 0.778 . . . . 0.0 111.526 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -102.86 -16.89 15.76 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.85 -24.79 67.88 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.271 0.941 . . . . 0.0 111.292 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.25 -19.7 64.75 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.525 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 52.2 m-85 -80.69 -11.72 59.58 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 122.975 0.51 . . . . 0.0 111.135 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.11 -82.3 0.15 Allowed Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -159.05 123.99 4.15 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 -21.45 15.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.677 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.73 -49.65 1.38 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.993 1.282 . . . . 0.0 112.103 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -155.46 158.98 39.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.724 1.21 . . . . 0.0 107.974 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.83 116.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -143.88 159.01 43.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -144.21 94.37 5.77 Favored Pre-proline 0 CA--C 1.53 0.208 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 174.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -79.79 18.19 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 124.636 3.558 . . . . 0.0 113.248 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 19.7 ptt180 -31.06 -66.51 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.354 1.462 . . . . 0.0 113.508 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.0 t70 -160.86 128.48 4.32 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 169.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.65 9.17 1.92 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -173.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -138.05 -22.77 1.05 Allowed 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.9 0.773 . . . . 0.0 112.864 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -133.54 -12.31 2.7 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -174.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 43.15 39.72 2.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.082 1.353 . . . . 0.0 114.165 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -89.01 -23.36 22.63 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 56' ' ' GLY . 29.6 m -82.26 40.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 111.991 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -58.95 0.18 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.355 1.462 . . . . 0.0 113.365 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -69.09 -1.81 28.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.26 -0.9 . . . . 0.0 114.858 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -154.07 -176.32 5.8 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.301 1.551 . . . . 0.0 112.322 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.69 -178.65 7.0 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.632 0.773 . . . . 0.0 111.171 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -153.66 63.37 0.73 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.294 1.438 . . . . 0.0 109.06 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 17.1 t -69.42 150.04 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 169.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -145.5 104.17 3.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 119.838 1.199 . . . . 0.0 111.931 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -72.98 164.25 26.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -128.93 5.58 5.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -132.39 131.36 41.75 Favored 'General case' 0 C--N 1.339 0.128 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.11 -30.19 71.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.68 -43.34 66.18 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.763 0.71 . . . . 0.0 110.158 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -77.0 -24.76 52.18 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.75 39.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.342 0.257 . . . . 0.0 111.502 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.67 -32.01 71.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.431 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.78 -38.8 64.54 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.933 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.23 74.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 122.404 -0.185 . . . . 0.0 111.11 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -87.84 -29.08 21.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.06 -10.25 58.08 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.221 0.209 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.46 -7.55 4.69 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.525 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 4.8 mmt -119.65 -24.01 6.37 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.59 125.42 26.11 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 119.909 1.231 . . . . 0.0 109.746 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.78 1.62 84.29 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.508 -0.607 . . . . 0.0 112.532 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.24 1.05 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 117.717 0.758 . . . . 0.0 111.257 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.52 145.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 123.618 0.767 . . . . 0.0 109.04 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.95 -57.42 2.19 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 122.927 0.491 . . . . 0.0 110.83 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -131.54 -4.86 3.72 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -15.26 0.9 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -91.43 -158.15 0.55 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 117.572 0.686 . . . . 0.0 109.681 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -113.77 166.73 11.27 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.0 mt -131.72 155.49 47.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -140.95 139.62 34.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.024 0.44 . . . . 0.0 111.157 -175.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -152.11 124.67 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.231 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -161.92 166.49 26.1 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 117.745 0.248 . . . . 0.0 110.895 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.09 147.8 51.34 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.26 0.224 . . . . 0.0 110.588 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.61 176.64 7.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.253 0.221 . . . . 0.0 110.726 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -132.66 -7.59 3.21 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -134.37 174.43 10.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.447 0.699 . . . . 0.0 109.875 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.19 -44.69 2.33 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -175.1 153.26 1.55 Allowed Pre-proline 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.634 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.05 148.34 89.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 1 C-N-CA 125.495 4.13 . . . . 0.0 112.285 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.97 -9.94 16.72 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 124.275 3.317 . . . . 0.0 112.254 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.61 158.98 40.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.229 0.612 . . . . 0.0 109.697 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.232 0.159 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.752 0.31 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 175.09 36.86 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -56.54 153.99 18.82 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.093 0.957 . . . . 0.0 112.451 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.8 157.8 5.22 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.749 3.633 . . . . 0.0 112.014 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.94 160.54 4.05 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.164 3.243 . . . . 0.0 112.124 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.75 167.29 26.97 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.008 2.472 . . . . 0.0 110.067 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 54.82 21.1 3.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.558 1.143 . . . . 0.0 112.362 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.6 -19.32 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.748 0.308 . . . . 0.0 111.439 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.97 1.61 8.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 0.0 111.238 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.89 22.01 3.49 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.04 0.828 . . . . 0.0 111.956 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mtm -137.9 165.22 27.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.202 0.601 . . . . 0.0 110.359 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 t -75.68 175.61 8.47 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.45 132.51 17.25 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.029 0.931 . . . . 0.0 108.699 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 10.7 tp -130.12 95.96 4.06 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.932 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 48.4 tttp -66.52 150.65 48.65 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.791 1.236 . . . . 0.0 111.349 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 95.1 t -135.47 138.21 48.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.55 1.14 . . . . 0.0 108.69 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.95 -178.83 7.51 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.551 0.74 . . . . 0.0 112.715 -173.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 80.82 13.6 0.75 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.386 1.874 . . . . 0.0 114.549 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' H ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -59.06 176.7 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.107 0.867 . . . . 0.0 112.35 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 p -82.24 172.06 13.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.288 0.566 . . . . 0.0 111.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -79.73 9.83 4.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.513 0.725 . . . . 0.0 110.699 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -126.02 -16.74 5.5 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.69 0.796 . . . . 0.0 112.046 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.1 m -78.27 164.7 24.65 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -137.22 159.92 67.8 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -65.59 -17.22 56.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.62 2.213 . . . . 0.0 111.944 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.01 -32.68 45.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -47.86 66.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.9 -29.39 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.49 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 tpt85 -63.33 -41.6 98.9 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -84.65 -38.74 19.45 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 122.049 -0.407 . . . . 0.0 110.819 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.3 -33.83 55.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 123.792 0.837 . . . . 0.0 111.407 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 32.1 m-85 -101.98 -11.08 19.21 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.085 0.402 . . . . 0.0 111.876 -176.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.51 -30.34 70.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.5 -20.7 61.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 64.3 m-85 -77.51 -13.7 59.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.486 -0.293 . . . . 0.0 110.911 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.01 -62.73 0.47 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.941 169.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -152.27 93.68 1.84 Allowed 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 122.049 0.928 . . . . 0.0 112.389 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -78.31 63.56 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.56 -32.82 2.08 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.721 1.153 . . . . 0.0 111.982 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.03 171.17 16.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.391 0.595 . . . . 0.0 109.872 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.79 138.56 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.434 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -147.13 166.85 25.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' C ' ' H ' ' A' ' 47' ' ' ARG . 23.0 mt -140.96 102.26 6.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.7 16.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.4 1 C-N-CA 126.634 4.89 . . . . 0.0 116.435 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.479 ' H ' ' C ' ' A' ' 45' ' ' ILE . 56.2 ttp180 -48.61 131.5 17.61 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.96 128.73 28.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.058 0.456 . . . . 0.0 110.672 -174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -75.55 5.8 5.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.615 1.166 . . . . 0.0 113.162 -171.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -140.65 -16.54 0.9 Allowed 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.0 p -136.66 -5.05 1.99 Allowed 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.172 0.442 . . . . 0.0 111.886 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 46.45 24.99 0.34 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.421 1.488 . . . . 0.0 114.171 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.18 13.28 1.52 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -132.16 25.16 4.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.618 0.644 . . . . 0.0 111.48 -174.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -70.36 2.76 3.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.535 1.134 . . . . 0.0 112.882 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.09 -1.56 90.03 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-O 118.942 -0.921 . . . . 0.0 113.934 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.11 -176.05 5.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.937 1.368 . . . . 0.0 111.262 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.02 -176.41 4.99 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.201 0.601 . . . . 0.0 112.02 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -147.3 59.33 1.16 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.319 1.448 . . . . 0.0 108.941 -177.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.423 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 12.7 t -68.17 152.27 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 14.0 ttp-105 -143.89 141.36 30.25 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -108.31 165.63 11.36 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.876 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -135.27 13.13 3.54 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.478 0.711 . . . . 0.0 112.518 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.52 135.88 33.92 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.16 -36.24 79.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -70.34 -41.61 72.97 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.652 0.66 . . . . 0.0 110.188 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -77.44 -27.66 52.27 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -36.55 50.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.14 -32.98 71.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.011 0.368 . . . . 0.0 110.528 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -73.02 -38.78 66.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.433 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.87 71.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.789 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -91.79 -26.44 18.55 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.989 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.08 -7.23 47.75 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.326 0.25 . . . . 0.0 111.086 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.27 -7.35 2.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.565 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 5.9 mmt -120.45 -22.5 6.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.947 0.794 . . . . 0.0 112.829 173.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.29 126.52 28.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.003 1.274 . . . . 0.0 109.888 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.82 3.25 83.71 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.799 -0.445 . . . . 0.0 112.301 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -175.36 0.92 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.714 0.757 . . . . 0.0 111.031 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.74 146.24 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.409 0.684 . . . . 0.0 109.176 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -108.15 -52.7 2.73 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.677 0.391 . . . . 0.0 109.958 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.73 -3.51 1.28 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.95 -16.21 0.61 Allowed Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.541 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -93.64 -160.88 0.8 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.778 0.789 . . . . 0.0 109.668 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -109.94 168.3 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.93 155.47 50.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -141.65 148.72 39.61 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.305 0.574 . . . . 0.0 110.805 -173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -164.28 131.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.495 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -165.36 169.71 15.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.388 0.675 . . . . 0.0 109.836 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.6 mmt -64.11 151.44 43.17 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.776 0.322 . . . . 0.0 110.664 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.84 175.19 5.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.842 0.457 . . . . 0.0 111.573 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -125.85 -8.14 6.68 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.235 0.614 . . . . 0.0 112.195 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -150.18 176.68 10.62 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-N 118.318 0.508 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.46 20.45 20.79 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 117.75 147.38 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.227 0 C-N-CA 131.307 3.843 . . . . 0.0 109.387 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -60.21 143.28 99.53 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 124.528 3.485 . . . . 0.0 110.734 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.44 -26.78 37.16 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.28 3.32 . . . . 0.0 113.81 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -155.88 170.35 22.3 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.331 -0.227 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -172.685 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.586 0.707 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.68 165.41 38.64 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -58.37 148.38 64.31 Favored Pre-proline 0 N--CA 1.452 -0.352 0 CA-C-N 117.356 0.578 . . . . 0.0 111.005 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.62 156.86 62.56 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.615 2.877 . . . . 0.0 109.45 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.87 153.76 58.51 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.774 2.316 . . . . 0.0 110.779 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.07 12.95 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.498 3.465 . . . . 0.0 112.079 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -139.26 16.88 2.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.767 0.427 . . . . 0.0 110.944 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.36 -21.28 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 122.981 0.512 . . . . 0.0 111.362 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.53 2.28 10.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.565 0.746 . . . . 0.0 111.296 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.58 25.53 2.71 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.129 0.871 . . . . 0.0 111.081 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.2 mtp -134.0 160.64 37.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.783 0.833 . . . . 0.0 109.386 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -69.41 164.62 22.6 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.9 p -152.85 138.37 17.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.084 0.554 . . . . 0.0 109.522 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.76 93.71 2.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.351 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.8 tttp -61.29 150.65 34.18 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 123.934 0.894 . . . . 0.0 111.395 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 61.2 t -135.55 133.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.705 1.202 . . . . 0.0 107.806 174.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -154.78 -173.75 4.7 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t30 72.9 1.65 4.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.158 2.183 . . . . 0.0 114.805 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.606 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -56.37 170.7 0.34 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.434 0.694 . . . . 0.0 112.788 175.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -74.09 169.32 17.76 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.734 0.778 . . . . 0.0 112.541 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -77.42 10.13 2.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.751 0.82 . . . . 0.0 111.044 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -125.76 -8.01 6.74 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.027 0.931 . . . . 0.0 111.515 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -65.17 166.85 9.01 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 75.3 m -138.22 163.1 49.9 Favored Pre-proline 0 N--CA 1.456 -0.16 0 O-C-N 121.882 -0.511 . . . . 0.0 111.324 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.5 Cg_endo -69.82 -27.56 26.06 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.434 2.089 . . . . 0.0 111.413 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.42 -29.97 59.9 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.523 0.147 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -56.59 5.35 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' HA ' HG22 ' A' ' 33' ' ' VAL . 20.6 mt -58.66 -29.0 66.24 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.593 -173.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HD2' HG11 ' A' ' 40' ' ' VAL . 13.1 tpt180 -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.688 174.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm105 -89.83 -41.81 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.369 0.531 . . . . 0.0 112.336 -172.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.3 m -64.95 -22.26 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.815 0.846 . . . . 0.0 111.288 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 47.5 m-85 -104.72 -19.06 14.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.51 -23.79 67.39 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.699 0.681 . . . . 0.0 110.43 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.34 -21.43 62.05 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.818 0.447 . . . . 0.0 111.92 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 44.5 m-85 -73.68 -14.01 61.08 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 122.477 0.311 . . . . 0.0 110.644 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.92 -74.79 0.18 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.72 119.16 5.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 HG11 ' HD2' ' A' ' 31' ' ' ARG . 8.7 p -56.59 -19.73 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.178 0.591 . . . . 0.0 111.254 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 -58.4 2.47 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 125.016 1.293 . . . . 0.0 111.879 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -162.34 164.55 27.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.523 1.129 . . . . 0.0 108.298 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.6 p -150.78 134.37 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -146.49 156.86 43.58 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.37 94.65 5.63 Favored Pre-proline 0 N--CA 1.456 -0.147 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -62.25 -25.74 76.96 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.73 2.953 . . . . 0.0 114.665 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 27.5 ptt180 20.93 -97.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.791 1.636 . . . . 0.0 111.635 -171.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.543 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.2 t70 -153.79 129.3 9.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -75.32 10.08 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -171.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -134.47 -17.08 2.04 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.882 0.765 . . . . 0.0 112.361 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 p -133.99 -12.56 2.53 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 122.767 0.427 . . . . 0.0 111.67 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 36.88 44.23 0.34 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.143 1.777 . . . . 0.0 113.825 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.02 27.97 5.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.837 0.455 . . . . 0.0 111.669 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 56' ' ' GLY . 51.0 m -128.47 35.42 4.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.439 0.695 . . . . 0.0 110.652 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -66.68 15.87 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.901 1.28 . . . . 0.0 112.125 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -67.83 -0.87 15.19 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.606 -0.684 . . . . 0.0 113.14 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -155.78 177.58 11.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.01 0.905 . . . . 0.0 109.964 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.62 -175.32 4.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.675 0.75 . . . . 0.0 110.998 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.24 62.74 1.03 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.474 1.51 . . . . 0.0 107.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -68.34 144.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 106.014 -1.846 . . . . 0.0 106.014 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -143.71 105.06 4.27 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 120.323 1.419 . . . . 0.0 112.527 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.61 167.45 21.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -138.9 12.0 2.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.86 137.3 43.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.06 -34.9 79.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -67.23 -40.71 86.36 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.704 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.08 -16.85 28.84 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.19 -37.53 57.72 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.404 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.07 -34.2 68.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.116 -0.365 . . . . 0.0 110.449 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.27 -40.81 70.73 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.082 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.71 85.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.264 -0.273 . . . . 0.0 110.774 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -81.1 -29.32 34.92 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.349 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.54 -10.44 58.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.218 -0.301 . . . . 0.0 111.404 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.8 -6.29 3.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 5.4 mmt -122.63 -25.12 4.76 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.37 123.3 19.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.772 1.169 . . . . 0.0 109.461 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.8 1.95 90.62 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.7 -173.02 0.7 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.378 0.589 . . . . 0.0 111.3 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -134.17 148.46 30.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.67 -52.89 2.75 Favored 'General case' 0 C--N 1.339 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -139.96 -4.32 1.37 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.4 -13.81 0.71 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 122.088 -0.383 . . . . 0.0 112.253 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -90.95 -156.92 0.46 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.043 0.537 . . . . 0.0 109.806 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -115.36 166.65 11.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.588 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.03 160.91 36.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mmt-85 -143.09 139.81 30.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.294 0.237 . . . . 0.0 110.391 -173.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.52 121.25 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.39 167.51 25.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.738 0.415 . . . . 0.0 110.089 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.4 149.58 37.96 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.536 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 177.48 7.56 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.845 0.458 . . . . 0.0 112.143 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -135.88 171.88 13.83 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.098 0.959 . . . . 0.0 110.981 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 51.76 -165.18 0.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.055 1.342 . . . . 0.0 113.373 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.09 12.78 6.06 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 119.005 -0.886 . . . . 0.0 111.719 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 119.38 152.5 0.0 OUTLIER Pre-proline 0 C--N 1.346 0.414 0 C-N-CA 130.402 3.481 . . . . 0.0 110.024 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.42 109.57 0.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 1 C-N-CA 125.34 4.027 . . . . 0.0 114.448 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.44 -8.74 10.48 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.923 3.082 . . . . 0.0 112.74 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -143.36 44.4 1.53 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.255 0.622 . . . . 0.0 111.664 -174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.233 0.212 0 C-N-CA 122.671 0.388 . . . . 0.0 110.433 177.156 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.18 165.92 34.46 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -62.72 155.26 71.05 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 123.418 0.687 . . . . 0.0 111.058 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.46 154.93 7.86 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 124.353 3.369 . . . . 0.0 111.27 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.08 161.74 43.82 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.113 2.542 . . . . 0.0 110.492 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.25 169.1 23.07 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.598 2.865 . . . . 0.0 110.572 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 54.38 23.1 4.18 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.142 0.977 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.77 -20.26 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.72 0.295 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.64 3.31 6.5 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.649 0.78 . . . . 0.0 111.354 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.68 25.51 2.57 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.818 0.723 . . . . 0.0 111.657 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.6 mtm -138.41 172.27 13.15 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 117.457 0.629 . . . . 0.0 110.418 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -62.16 165.48 5.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.369 0.668 . . . . 0.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 p -150.91 52.3 0.86 Allowed 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 122.928 0.491 . . . . 0.0 110.592 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.74 149.01 51.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 10.4 pttp -128.67 166.23 19.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 118.654 0.661 . . . . 0.0 112.669 169.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.434 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 69.3 t -140.95 137.22 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.471 1.109 . . . . 0.0 109.373 -175.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -154.41 178.0 10.53 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.538 0.735 . . . . 0.0 112.57 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 t30 84.57 28.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.236 1.814 . . . . 0.0 113.967 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 177.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 112.694 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -95.87 169.1 10.23 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 122.889 0.476 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -69.93 6.72 1.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.211 0.604 . . . . 0.0 111.823 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -128.06 -6.66 5.48 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.992 0.917 . . . . 0.0 111.586 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.3 m -71.81 163.95 26.89 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -143.17 160.82 50.91 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 123.58 0.752 . . . . 0.0 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.67 -17.68 33.26 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 121.669 1.579 . . . . 0.0 110.852 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.38 -43.3 64.18 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 122.151 -0.343 . . . . 0.0 110.329 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -52.04 56.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' ' 33' ' ' VAL . 40.6 mt -57.88 -28.06 63.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.277 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.13 -48.9 74.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.715 0.689 . . . . 0.0 109.838 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.21 -42.87 20.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.4 m -66.64 -23.48 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.587 0.755 . . . . 0.0 111.265 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.8 -16.76 19.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.423 0.556 . . . . 0.0 112.335 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.68 -22.71 62.34 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.227 0.467 . . . . 0.0 111.786 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -75.21 -22.04 58.23 Favored 'General case' 0 C--N 1.337 0.055 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 75.6 m-85 -83.54 -17.38 42.02 Favored 'General case' 0 CA--C 1.523 -0.09 0 C-N-CA 122.535 0.334 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.27 -160.01 27.79 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -60.7 90.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.523 1.529 . . . . 0.0 112.363 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.84 54.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.058 1.343 . . . . 0.0 107.479 169.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.54 -12.78 6.74 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 125.034 1.302 . . . . 0.0 113.466 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.63 146.68 27.42 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.817 0.809 . . . . 0.0 109.657 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.1 p -155.34 117.85 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -148.46 168.0 23.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.723 -173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.411 ' C ' ' H ' ' A' ' 47' ' ' ARG . 66.6 mt -141.73 98.37 6.41 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -55.18 13.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 1 C-N-CA 126.177 4.585 . . . . 0.0 117.072 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 45' ' ' ILE . 40.0 ptt180 -58.79 158.92 7.41 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.3 0.955 . . . . 0.0 109.957 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.41 126.4 15.04 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.416 0.626 . . . . 0.0 111.15 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -67.64 -1.23 4.84 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.745 1.218 . . . . 0.0 113.0 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.85 -11.85 0.87 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -137.38 -1.83 2.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 118.117 0.417 . . . . 0.0 111.291 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.94 53.92 0.18 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.153 1.781 . . . . 0.0 113.579 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -115.06 16.13 17.09 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.2 m -128.79 28.17 5.39 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.271 0.629 . . . . 0.0 110.321 177.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -65.84 8.83 0.16 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.376 1.47 . . . . 0.0 112.934 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -69.03 -2.49 31.51 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.884 0.754 . . . . 0.0 113.365 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -155.09 -175.21 5.32 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.413 1.107 . . . . 0.0 111.238 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.74 -178.42 5.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.264 0.625 . . . . 0.0 110.521 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -149.92 68.99 1.01 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.315 0.646 . . . . 0.0 110.546 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 16.0 t -77.38 158.35 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 172.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.1 ttp-105 -151.94 156.37 39.93 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.198 0.908 . . . . 0.0 113.055 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -125.05 161.31 27.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.656 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -127.01 15.87 7.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -141.99 137.11 30.95 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.656 -0.652 . . . . 0.0 109.304 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.35 -30.14 71.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.27 -41.44 63.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.769 0.713 . . . . 0.0 109.718 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.96 -30.4 63.82 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.53 48.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.48 -33.19 70.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.595 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -72.82 -38.44 67.15 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.303 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.13 71.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.412 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -90.08 -28.38 19.05 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.296 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.0 -9.92 49.47 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.824 0.283 . . . . 0.0 111.352 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.72 -6.74 3.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.414 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.8 mmt -119.23 -26.29 5.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.661 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.39 124.98 25.5 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.92 1.236 . . . . 0.0 109.864 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.26 0.23 89.53 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.146 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -175.88 1.64 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.702 0.751 . . . . 0.0 110.945 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.4 144.19 35.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.76 -53.14 2.68 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.713 0.405 . . . . 0.0 110.333 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -137.64 -4.85 1.79 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.28 -10.07 0.84 Allowed Glycine 0 CA--C 1.528 0.86 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.939 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -103.01 -162.82 0.94 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.435 0.617 . . . . 0.0 109.507 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -106.07 168.45 9.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.67 151.29 51.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.8 mmt180 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.1 t -149.94 119.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.839 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -162.62 164.61 26.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.44 145.11 56.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.473 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.3 -178.13 4.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.149 0.58 . . . . 0.0 111.438 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -137.47 -9.11 1.68 Allowed 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 123.297 0.639 . . . . 0.0 112.131 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -134.07 179.17 6.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.522 0.729 . . . . 0.0 109.643 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.63 -31.58 1.22 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -156.79 142.4 12.68 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 125.153 1.381 . . . . 0.0 108.617 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.78 142.91 7.11 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 125.087 3.858 . . . . 0.0 112.177 172.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.46 -25.69 10.93 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.942 2.428 . . . . 0.0 110.271 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.99 128.84 2.03 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.242 1.017 . . . . 0.0 108.74 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.528 0.107 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.239 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.623 0.249 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 169.22 41.56 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -55.58 145.93 47.33 Favored Pre-proline 0 N--CA 1.451 -0.39 0 C-N-CA 123.764 0.825 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.14 163.32 39.59 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 124.911 3.74 . . . . 0.0 111.915 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -52.05 154.19 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 124.083 3.189 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.47 12.78 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 124.401 3.4 . . . . 0.0 112.386 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 11' ' ' GLU . 24.3 t0 -137.71 20.03 2.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.187 0.449 . . . . 0.0 111.72 -174.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.15 9.44 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 121.809 -0.557 . . . . 0.0 111.947 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 9' ' ' ASP . 38.2 mt-10 -121.02 10.28 10.74 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.875 0.87 . . . . 0.0 109.839 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 12.79 5.19 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.737 1.16 . . . . 0.0 110.855 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.1 mtm -142.46 -179.84 6.52 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.805 1.242 . . . . 0.0 108.699 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -58.3 162.36 3.67 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.6 p -149.75 46.88 0.94 Allowed 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.196 -0.315 . . . . 0.0 111.723 -172.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -65.23 151.7 45.52 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 13.8 pttp -132.98 167.72 19.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 118.523 0.602 . . . . 0.0 111.694 168.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 93.3 t -138.95 141.97 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.921 0.888 . . . . 0.0 109.658 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -152.66 -175.33 5.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.035 0.934 . . . . 0.0 112.118 -174.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 66.42 35.94 5.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.139 1.375 . . . . 0.0 114.11 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 179.91 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.21 0.604 . . . . 0.0 112.213 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -98.06 164.55 12.3 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.3 0.64 . . . . 0.0 111.166 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -68.5 5.32 1.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.525 0.33 . . . . 0.0 111.855 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -123.09 -8.12 8.27 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.248 1.019 . . . . 0.0 111.089 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.5 m -69.33 165.19 21.2 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -146.58 164.32 24.78 Favored Pre-proline 0 C--N 1.333 -0.129 0 C-N-CA 123.718 0.807 . . . . 0.0 109.041 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.86 -19.73 35.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 121.514 1.476 . . . . 0.0 110.497 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.19 -35.58 36.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.813 0.279 . . . . 0.0 110.381 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -54.12 28.6 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 33' ' ' VAL . 34.1 mt -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.19 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.87 -46.88 85.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.491 0.587 . . . . 0.0 110.138 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -85.02 -43.42 13.97 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.416 0.553 . . . . 0.0 112.461 -174.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.2 m -65.47 -21.34 29.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 123.69 0.796 . . . . 0.0 111.658 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 36.0 m-85 -102.8 -17.41 15.59 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.393 0.542 . . . . 0.0 111.893 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.41 -24.14 67.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.803 -0.56 . . . . 0.0 110.623 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.99 -21.36 65.96 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 68.6 m-85 -78.68 -9.54 59.44 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 123.272 0.629 . . . . 0.0 110.732 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.15 -78.69 0.19 Allowed Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -166.41 120.76 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.579 1.152 . . . . 0.0 108.431 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.1 130.89 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.23 -21.54 67.27 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -167.65 169.38 11.91 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.908 0.883 . . . . 0.0 109.673 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.43 128.05 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.229 0.612 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.41 166.77 29.1 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -140.92 96.21 7.43 Favored Pre-proline 0 C--O 1.232 0.141 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -60.07 19.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.395 1 C-N-CA 125.841 4.361 . . . . 0.0 116.426 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -55.39 154.72 5.88 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.265 0.938 . . . . 0.0 109.983 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.11 124.62 7.93 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.661 0.384 . . . . 0.0 111.386 -174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -72.86 8.6 1.45 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -173.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -135.75 -16.31 1.76 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.389 0.541 . . . . 0.0 112.188 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -141.06 0.45 1.55 Allowed 'General case' 0 C--O 1.231 0.109 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? 35.84 36.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.136 1.775 . . . . 0.0 113.933 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.71 11.87 16.43 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 56' ' ' GLY . 44.5 m -131.05 29.53 4.68 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 122.818 0.447 . . . . 0.0 111.551 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.96 5.27 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.662 1.185 . . . . 0.0 111.567 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.65 -4.74 20.45 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.155 0.883 . . . . 0.0 113.741 -177.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -155.09 -176.38 5.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.201 1.001 . . . . 0.0 110.536 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.39 179.7 7.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.937 0.495 . . . . 0.0 110.718 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.22 73.45 1.33 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.626 0.771 . . . . 0.0 109.341 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -75.78 165.75 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 171.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -153.98 160.3 42.01 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.329 0.968 . . . . 0.0 112.077 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.73 157.82 38.11 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.425 1.09 . . . . 0.0 110.014 170.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -132.91 12.85 4.34 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.316 0.646 . . . . 0.0 111.456 -173.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -131.38 124.6 30.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.0 -27.42 68.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -168.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -75.45 -39.03 59.31 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.283 0.947 . . . . 0.0 110.701 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -75.56 -27.1 58.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -40.27 62.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.427 0.291 . . . . 0.0 111.569 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -70.41 -31.27 68.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.944 -0.472 . . . . 0.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.41 -38.35 59.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.151 0.432 . . . . 0.0 110.749 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.9 72.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.113 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -88.91 -27.8 20.73 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.017 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.51 -8.95 55.19 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.623 0.192 . . . . 0.0 111.19 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.59 -7.62 3.66 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.427 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.8 mmt -115.91 -24.65 8.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.415 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.58 125.88 26.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.953 1.251 . . . . 0.0 110.169 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.53 90.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.355 -0.692 . . . . 0.0 112.368 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -179.82 1.76 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.151 0.975 . . . . 0.0 110.715 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.1 t -136.46 142.52 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 82' ' ' GLY . 52.6 tp -151.68 142.78 23.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 170.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.54 -3.99 0.07 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.338 1.455 . . . . 0.0 113.121 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.89 -2.06 31.8 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -98.26 -163.03 1.0 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.242 0.617 . . . . 0.0 109.75 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -107.03 167.47 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.0 mt -134.76 146.26 49.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -140.15 147.3 39.96 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.346 0.593 . . . . 0.0 111.15 -171.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.7 131.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.332 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.94 167.93 14.35 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.874 0.47 . . . . 0.0 110.085 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.25 144.75 56.42 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.956 -0.465 . . . . 0.0 110.748 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.91 177.82 4.06 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.775 0.43 . . . . 0.0 111.25 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -139.19 -9.86 1.29 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -134.26 163.52 29.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.937 0.495 . . . . 0.0 110.496 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.43 -43.92 8.26 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.418 ' HB2' ' HD2' ' A' ' 95' ' ' PRO . 3.8 ptp180 -172.67 161.17 3.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.867 1.667 . . . . 0.0 107.224 170.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 94' ' ' ARG . 37.2 Cg_endo -58.0 139.1 89.21 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 125.302 4.001 . . . . 0.0 111.58 177.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -83.46 -17.17 6.5 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.652 2.901 . . . . 0.0 113.928 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -155.52 18.61 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.437 1.017 . . . . 0.0 113.369 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.105 0 O-C-N 121.644 -0.66 . . . . 0.0 112.621 -178.256 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.91 167.35 38.59 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.11 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.53 151.08 62.73 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.772 0.829 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.37 155.75 12.07 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.875 3.717 . . . . 0.0 112.705 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.25 158.75 53.83 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.307 2.671 . . . . 0.0 110.072 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.58 21.7 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 124.751 3.634 . . . . 0.0 113.746 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -137.63 9.9 2.89 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.425 0.557 . . . . 0.0 112.491 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.86 -13.84 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 O-C-N 122.084 -0.385 . . . . 0.0 111.356 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -78.01 4.58 11.84 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.437 0.695 . . . . 0.0 111.548 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.38 25.12 2.63 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.77 -0.461 . . . . 0.0 112.048 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.6 mtm -140.43 172.73 12.32 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.554 0.677 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.9 m -65.86 169.35 6.7 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.589 0.756 . . . . 0.0 109.305 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -153.17 125.24 7.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.46 98.31 4.05 Favored 'General case' 0 N--CA 1.458 -0.074 0 O-C-N 123.083 0.239 . . . . 0.0 111.592 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 52.2 tttp -63.89 148.85 48.43 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.878 0.871 . . . . 0.0 111.266 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 78.0 t -133.63 133.6 57.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.85 -170.85 3.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.999 0.812 . . . . 0.0 111.971 -170.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' ND2' HH21 ' A' ' 83' ' ' ARG . 2.4 t30 58.13 87.71 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.294 1.437 . . . . 0.0 112.258 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.406 ' CD2' HD13 ' A' ' 30' ' ' LEU . 1.7 pp -139.75 173.12 11.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.128 -0.357 . . . . 0.0 111.728 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -77.37 170.08 17.18 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.339 0.59 . . . . 0.0 111.708 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -75.41 8.55 2.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.25 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.11 -19.83 10.7 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.158 0.435 . . . . 0.0 111.156 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -64.94 162.05 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 80.1 p -142.81 164.37 32.75 Favored Pre-proline 0 N--CA 1.455 -0.189 0 C-N-CA 122.902 0.481 . . . . 0.0 110.535 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 63.4 Cg_endo -71.03 -18.63 30.92 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.712 1.608 . . . . 0.0 110.93 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.18 -34.45 56.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.94 -0.475 . . . . 0.0 110.096 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -51.4 53.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.8 mt -59.44 -29.75 68.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.566 -173.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.93 -46.15 89.12 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -85.44 -43.72 13.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 118.456 0.571 . . . . 0.0 112.488 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.0 m -64.23 -23.73 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.882 0.873 . . . . 0.0 111.581 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 45.7 m-85 -102.04 -17.15 16.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.293 0.497 . . . . 0.0 112.055 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.86 -20.6 63.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.083 0.856 . . . . 0.0 112.088 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.29 -18.81 61.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.797 -0.565 . . . . 0.0 112.12 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 70.6 m-85 -86.89 -14.53 41.69 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.85 -175.51 23.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.721 -1.751 . . . . 0.0 108.721 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -63.85 118.98 9.15 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.5 -16.94 8.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.291 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.88 -51.49 2.36 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.454 1.502 . . . . 0.0 112.351 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.93 161.28 31.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.487 1.115 . . . . 0.0 108.545 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -147.47 120.58 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -144.3 165.01 29.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 47' ' ' ARG . 55.8 mt -140.93 94.32 8.0 Favored Pre-proline 0 CA--C 1.529 0.164 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.27 15.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.528 1 C-N-CA 126.182 4.588 . . . . 0.0 115.598 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 29.6 ptt180 -43.84 -62.35 1.14 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.93 0.892 . . . . 0.0 112.863 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.445 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 22.0 t70 -162.6 177.26 9.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.381 1.073 . . . . 0.0 108.301 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -131.11 8.95 4.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.583 0.629 . . . . 0.0 112.111 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -130.53 -21.09 2.86 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.023 0.529 . . . . 0.0 111.307 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -131.98 -23.81 2.2 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.522 0.329 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 46.58 63.05 2.04 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.687 1.195 . . . . 0.0 112.673 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -127.34 -19.33 4.28 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -76.71 39.27 0.21 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.75 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -66.73 16.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.419 1.488 . . . . 0.0 114.209 -173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.29 1.14 20.78 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 118.614 0.643 . . . . 0.0 113.129 -177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -155.45 -174.21 4.88 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.512 1.156 . . . . 0.0 110.653 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.46 -179.27 7.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 111.723 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -153.07 64.19 0.77 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.142 1.377 . . . . 0.0 109.39 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 18.0 t -70.35 150.91 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -145.33 103.91 3.88 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.742 1.155 . . . . 0.0 112.118 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.08 162.35 29.09 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -128.28 2.85 5.73 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.339 0.656 . . . . 0.0 112.005 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -123.19 130.55 52.91 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -65.33 -22.12 66.78 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -171.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -83.49 -47.07 11.75 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.789 0.804 . . . . 0.0 109.091 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.46 -29.62 69.15 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.55 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.02 -43.23 14.14 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.69 -35.06 78.11 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.656 0.662 . . . . 0.0 110.48 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -68.62 -41.19 79.86 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.77 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.16 73.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.713 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -87.97 -27.61 21.98 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.771 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.6 -11.61 60.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.133 0.173 . . . . 0.0 111.04 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.92 -6.77 4.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.438 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.5 mmt -119.48 -22.48 6.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.092 0.86 . . . . 0.0 113.046 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -66.44 127.06 30.83 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 120.298 1.408 . . . . 0.0 110.408 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.75 3.45 83.76 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.257 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -177.0 1.22 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 117.54 0.67 . . . . 0.0 110.946 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.86 151.37 25.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 109.344 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.1 tp -119.03 -56.19 2.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.982 0.513 . . . . 0.0 111.106 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -131.0 -0.85 4.14 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.76 -13.38 2.42 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 112.171 -0.371 . . . . 0.0 112.171 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.467 HH21 ' ND2' ' A' ' 20' ' ' ASN . 10.9 ptm85 -85.17 -152.11 0.15 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 123.743 0.817 . . . . 0.0 110.335 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -122.86 156.34 34.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.065 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.48 149.71 46.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 30.7 mmt180 -142.81 147.64 35.8 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.719 -172.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -164.62 129.69 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.235 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -165.21 168.66 16.85 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.87 0.468 . . . . 0.0 109.986 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.3 149.75 41.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.079 0.466 . . . . 0.0 110.746 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.96 177.93 5.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.954 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.52 -10.33 6.84 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -151.56 178.97 8.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.086 0.955 . . . . 0.0 109.572 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.62 -45.89 1.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -159.67 153.28 19.05 Favored Pre-proline 0 N--CA 1.451 -0.404 0 C-N-CA 126.092 1.757 . . . . 0.0 107.755 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -51.67 154.1 9.91 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 125.195 3.93 . . . . 0.0 112.047 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -74.43 -23.12 15.44 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.077 2.518 . . . . 0.0 110.49 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -153.02 159.42 42.88 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.427 1.491 . . . . 0.0 107.61 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 117.994 0.361 . . . . 0.0 111.768 -174.717 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 22.2 m-85 . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 121.17 0.51 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.25 170.03 54.51 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-O 121.564 0.536 . . . . 0.0 112.026 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 142.83 19.92 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.601 0.76 . . . . 0.0 111.05 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.83 163.27 39.4 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 124.59 3.527 . . . . 0.0 110.427 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.55 160.09 47.43 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.17 2.58 . . . . 0.0 110.647 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.24 13.81 0.82 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.918 3.745 . . . . 0.0 113.085 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -141.02 13.92 2.25 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.073 0.397 . . . . 0.0 111.834 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.4 -22.54 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.874 0.47 . . . . 0.0 111.324 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -8.18 55.52 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.501 0.72 . . . . 0.0 112.397 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.09 23.51 9.23 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.218 0.913 . . . . 0.0 112.012 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.5 mtm -138.26 170.84 15.32 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-N 117.673 0.736 . . . . 0.0 110.678 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.4 m -60.24 156.89 14.49 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -152.56 140.12 19.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.169 0.588 . . . . 0.0 109.536 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -143.8 91.68 2.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 119.452 -0.308 . . . . 0.0 111.328 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 49.8 tttp -60.64 151.97 27.64 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.151 0.981 . . . . 0.0 111.313 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 62.6 t -136.97 133.01 47.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.83 1.252 . . . . 0.0 107.859 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.48 -176.5 6.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.814 0.846 . . . . 0.0 112.462 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 84.37 0.81 0.9 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.041 2.137 . . . . 0.0 113.995 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.624 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.47 172.09 0.53 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.303 1.041 . . . . 0.0 113.296 178.265 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -75.88 171.94 13.56 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 121.409 0.623 . . . . 0.0 112.272 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -78.19 -4.53 48.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.89 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.92 -22.25 18.72 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.124 0.42 . . . . 0.0 110.22 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -61.66 164.18 6.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.724 0.81 . . . . 0.0 110.989 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 62.3 p -144.28 168.63 11.96 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 124.046 0.939 . . . . 0.0 108.856 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 87.8 Cg_endo -73.66 -21.08 19.54 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 121.417 1.411 . . . . 0.0 111.079 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.21 -31.89 43.86 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 122.305 -0.247 . . . . 0.0 110.754 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -48.67 60.69 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.63 -30.43 71.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.683 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -61.21 -39.57 90.71 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -88.1 -38.5 15.34 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.308 0.643 . . . . 0.0 111.358 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.57 -39.02 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 C-N-CA 124.126 0.97 . . . . 0.0 111.158 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 44.2 m-85 -97.49 -13.53 21.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.53 -28.5 65.51 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.82 -18.52 61.46 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.774 -0.579 . . . . 0.0 112.241 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 67.6 m-85 -86.29 -15.19 41.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.866 0.466 . . . . 0.0 111.127 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.74 -171.61 24.75 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 108.906 -1.677 . . . . 0.0 108.906 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -65.46 118.36 9.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.57 -18.8 10.05 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 -52.5 2.66 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 125.044 1.306 . . . . 0.0 112.209 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -161.49 162.71 30.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.954 0.902 . . . . 0.0 108.651 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.56 128.5 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -145.6 159.24 43.43 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.61 91.12 6.86 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -21.21 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.852 3.034 . . . . 0.0 114.082 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 29.5 -110.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 125.662 1.585 . . . . 0.0 109.729 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.97 122.49 7.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -62.77 -0.63 0.68 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.103 1.761 . . . . 0.0 113.496 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.09 -15.81 0.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.265 0.939 . . . . 0.0 113.366 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -133.65 -6.01 2.86 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.272 0.487 . . . . 0.0 111.884 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 30.1 59.85 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.472 1.909 . . . . 0.0 114.011 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -132.88 26.28 4.3 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 56' ' ' GLY . 41.4 m -130.93 36.15 3.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.285 0.634 . . . . 0.0 111.444 -176.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.39 -2.86 0.79 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 112.125 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -68.92 4.31 5.78 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.243 0.925 . . . . 0.0 114.442 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -157.8 176.72 12.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.154 1.477 . . . . 0.0 111.368 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.05 -174.75 4.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.956 0.902 . . . . 0.0 110.431 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -150.14 64.46 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.834 1.254 . . . . 0.0 108.103 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.8 t -74.15 139.75 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 171.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -141.05 105.8 4.92 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.194 0.906 . . . . 0.0 111.828 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -74.47 163.84 27.29 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.43 10.12 4.79 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.255 0.622 . . . . 0.0 112.084 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.06 129.98 42.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.14 -32.85 74.34 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.32 -38.55 60.2 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.641 1.11 . . . . 0.0 110.186 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.15 -29.62 66.58 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.14 -43.18 19.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.68 -30.51 70.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.74 -0.6 . . . . 0.0 111.203 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.7 -37.92 59.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.495 0.589 . . . . 0.0 110.866 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.77 73.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.26 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -87.72 -28.66 21.62 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.885 0.766 . . . . 0.0 110.788 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.71 -9.88 56.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.285 -0.259 . . . . 0.0 111.327 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.23 -7.58 3.81 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.533 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.3 mmt -118.68 -26.22 6.18 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.793 175.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -66.28 117.91 9.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 120.22 1.373 . . . . 0.0 109.878 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.77 2.48 90.55 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.791 -0.449 . . . . 0.0 112.418 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -176.45 1.1 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.871 0.836 . . . . 0.0 111.119 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.86 115.0 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 C-N-CA 123.585 0.754 . . . . 0.0 109.437 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -92.38 -19.06 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -158.89 -16.36 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.25 -6.77 0.6 Allowed Glycine 0 CA--C 1.528 0.893 0 CA-C-N 118.394 0.543 . . . . 0.0 112.049 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -111.84 -156.89 0.6 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.418 0.687 . . . . 0.0 109.261 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.34 160.84 22.23 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.601 0.36 . . . . 0.0 110.464 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -120.28 161.19 21.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 26.4 mmt180 -139.31 136.48 34.9 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -151.24 119.24 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.62 166.7 26.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.06 146.87 52.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.291 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.16 177.56 7.15 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.408 0.283 . . . . 0.0 111.748 -175.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -141.74 -176.6 4.82 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.452 0.701 . . . . 0.0 110.779 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 53.52 -166.0 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.955 0.902 . . . . 0.0 111.812 -175.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.36 16.3 3.86 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.192 -0.782 . . . . 0.0 111.408 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 119.61 145.32 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.282 0 C-N-CA 130.82 3.648 . . . . 0.0 108.639 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.21 126.68 16.12 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.497 3.464 . . . . 0.0 110.715 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.44 -9.96 8.99 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.891 3.061 . . . . 0.0 113.608 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -147.55 18.79 1.18 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--N 1.332 -0.179 0 O-C-N 122.152 -0.342 . . . . 0.0 111.449 178.079 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.41 0.624 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.49 166.1 37.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -55.89 147.37 43.52 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.082 0.553 . . . . 0.0 111.611 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.82 164.23 36.17 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 124.367 3.378 . . . . 0.0 109.873 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.66 156.93 60.02 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.329 2.02 . . . . 0.0 110.317 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.68 13.94 2.45 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.219 3.28 . . . . 0.0 112.49 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -138.45 28.96 2.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.379 0.536 . . . . 0.0 111.608 -173.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.14 -26.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.212 -0.305 . . . . 0.0 111.053 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.6 0.19 13.44 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.348 0.659 . . . . 0.0 111.962 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.52 2.63 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.485 -0.62 . . . . 0.0 112.497 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -142.07 176.01 9.29 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 117.978 0.889 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 t -70.65 174.96 5.28 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.708 0.403 . . . . 0.0 110.411 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -149.17 49.82 0.97 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.207 1.003 . . . . 0.0 109.541 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.7 tm? -65.01 98.87 0.31 Allowed 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.028 0.931 . . . . 0.0 110.334 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -90.93 172.34 8.66 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 118.549 0.613 . . . . 0.0 112.423 -175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 74.3 t -148.12 138.83 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.676 1.19 . . . . 0.0 110.525 -172.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.7 174.87 13.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.03 0.932 . . . . 0.0 112.158 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 101.49 18.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.83 2.052 . . . . 0.0 114.397 169.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 177.21 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -96.3 168.35 10.63 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.084 0.553 . . . . 0.0 110.773 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -69.59 6.75 1.01 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.884 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -127.95 -8.16 5.48 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.62 0.768 . . . . 0.0 111.493 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.4 m -71.72 162.02 30.09 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -140.03 155.57 70.73 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.297 0.639 . . . . 0.0 109.396 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.24 -20.62 24.39 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.111 2.541 . . . . 0.0 112.167 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.53 -28.47 60.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -72.72 -50.65 23.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.23 -30.93 71.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -62.31 -44.39 96.62 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -80.72 -39.9 26.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 118.034 0.379 . . . . 0.0 110.714 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.74 -31.67 47.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 124.585 1.154 . . . . 0.0 111.187 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 26.7 m-85 -103.11 -11.43 18.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.994 0.361 . . . . 0.0 111.804 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -72.04 -24.03 61.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -67.82 -22.23 65.16 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 68.8 m-85 -76.33 -9.15 58.42 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.033 0.533 . . . . 0.0 110.888 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.17 -82.71 0.16 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.76 126.04 2.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.667 1.187 . . . . 0.0 108.01 172.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.87 133.22 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.63 66.47 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -167.41 169.28 12.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.787 0.835 . . . . 0.0 109.597 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.58 141.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -158.8 161.8 36.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.6 mt -141.58 90.73 8.71 Favored Pre-proline 0 N--CA 1.455 -0.213 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.15 -14.63 16.61 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 123.118 2.545 . . . . 0.0 113.177 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 25.79 -108.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 110.564 -175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -146.2 128.84 16.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -75.83 17.92 0.29 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 0.0 112.197 -173.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -138.84 -12.73 1.27 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 p -133.0 -17.98 2.37 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 122.63 0.372 . . . . 0.0 111.271 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 43.27 34.95 0.77 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.45 1.5 . . . . 0.0 113.512 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.25 8.67 4.71 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.7 m -93.57 29.2 2.06 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.204 0.602 . . . . 0.0 110.528 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.76 3.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.448 1.499 . . . . 0.0 112.012 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -57.94 -6.59 2.9 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.617 1.103 . . . . 0.0 114.167 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -151.77 179.71 8.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 118.547 1.174 . . . . 0.0 111.348 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.69 179.04 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.215 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.12 67.53 1.19 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.9 0.48 . . . . 0.0 111.235 -175.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 70.7 t -74.9 155.82 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 25.2 ttp-105 -149.48 160.81 43.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.212 0.46 . . . . 0.0 111.241 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.53 162.85 30.21 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.135 0.974 . . . . 0.0 110.515 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -135.34 15.56 3.46 Favored 'General case' 0 CA--C 1.528 0.11 0 O-C-N 124.001 0.813 . . . . 0.0 112.002 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.87 131.24 38.92 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -62.1 -30.94 71.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.51 -39.39 64.85 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.061 0.846 . . . . 0.0 110.558 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -77.71 -29.55 51.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.63 -46.7 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.804 0.441 . . . . 0.0 111.389 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.7 -32.55 72.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.22 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.41 -38.09 63.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 118.419 0.554 . . . . 0.0 110.641 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.07 72.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.152 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -90.62 -27.89 18.78 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 118.84 0.745 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -68.87 -10.21 55.75 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.356 -0.215 . . . . 0.0 111.189 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.45 -8.57 3.7 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.557 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 5.3 mmt -120.55 -18.33 7.84 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.77 52.56 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.072 1.305 . . . . 0.0 111.705 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.3 3.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.128 0.87 . . . . 0.0 112.672 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.82 -175.24 2.89 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.328 1.064 . . . . 0.0 111.146 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.94 120.6 26.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.65 -55.88 7.74 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.5 -1.16 0.4 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.61 -7.98 0.08 OUTLIER Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -121.47 -174.22 2.81 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.439 1.12 . . . . 0.0 109.584 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.98 171.63 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.819 0.448 . . . . 0.0 111.156 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.86 162.83 21.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -141.99 133.51 26.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -150.9 126.11 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.06 164.94 20.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.541 0.21 . . . . 0.0 110.957 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.9 mmt -65.82 148.65 51.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.333 0.253 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.39 -177.24 5.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.752 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.74 -9.42 1.39 Allowed 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 123.52 0.728 . . . . 0.0 112.16 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.71 174.87 10.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.031 0.532 . . . . 0.0 110.453 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.38 -27.93 5.95 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 172.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -154.27 154.67 30.0 Favored Pre-proline 0 N--CA 1.447 -0.589 0 C-N-CA 125.938 1.695 . . . . 0.0 107.501 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.18 145.49 76.23 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 125.109 3.873 . . . . 0.0 110.462 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.63 -20.78 9.09 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.47 2.78 . . . . 0.0 114.256 -172.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.37 17.41 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.287 0.949 . . . . 0.0 113.336 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.333 -0.134 0 O-C-N 121.805 -0.559 . . . . 0.0 112.026 -178.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.534 0.207 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.42 176.39 39.58 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -52.78 149.64 11.07 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.221 1.008 . . . . 0.0 112.069 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.1 159.66 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.654 3.569 . . . . 0.0 111.875 170.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.57 150.85 15.35 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.309 2.673 . . . . 0.0 112.199 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -79.08 8.73 3.66 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.444 3.429 . . . . 0.0 113.089 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -140.64 19.56 2.35 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.634 0.652 . . . . 0.0 111.844 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.8 -11.77 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 121.942 -0.474 . . . . 0.0 111.892 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.43 4.09 41.03 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.327 0.651 . . . . 0.0 111.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.08 15.67 3.25 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.236 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.8 mtm -142.56 168.46 19.67 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.903 0.852 . . . . 0.0 109.442 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.1 t -68.88 177.74 2.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.661 0.267 . . . . 0.0 110.483 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -151.8 151.08 30.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.731 0.776 . . . . 0.0 110.893 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -143.63 152.5 41.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 14.8 pttp -130.27 165.8 21.69 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.394 0.997 . . . . 0.0 111.787 170.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 72.7 t -139.68 133.48 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.497 1.119 . . . . 0.0 109.073 -176.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -151.95 -173.12 4.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.483 1.113 . . . . 0.0 111.449 -174.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 54.71 92.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.412 1.485 . . . . 0.0 112.027 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.46 175.53 8.15 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.924 0.49 . . . . 0.0 111.563 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -84.02 169.35 15.05 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 111.644 -176.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -70.82 7.29 1.18 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.054 0.541 . . . . 0.0 111.691 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 mmm-85 -128.1 -8.71 5.38 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.729 0.812 . . . . 0.0 111.751 -177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -70.98 160.95 31.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -145.3 161.82 39.95 Favored Pre-proline 0 CA--C 1.53 0.181 0 C-N-CA 123.373 0.669 . . . . 0.0 109.628 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.57 -23.12 23.6 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.073 1.848 . . . . 0.0 112.278 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.71 -33.9 60.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.319 0.509 . . . . 0.0 110.852 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.15 -49.88 63.21 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HA ' HG21 ' A' ' 33' ' ' VAL . 24.9 mt -59.8 -28.52 67.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.082 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.89 -45.9 84.0 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.547 0.612 . . . . 0.0 110.205 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -80.53 -44.69 18.67 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' 30' ' ' LEU . 16.7 m -67.19 -23.11 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 111.665 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.76 -16.37 19.9 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.368 0.531 . . . . 0.0 112.406 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.0 -31.3 68.67 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 0.647 . . . . 0.0 111.053 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.87 -22.17 65.99 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.968 0.507 . . . . 0.0 112.244 -175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 71.6 m-85 -76.22 -12.31 60.07 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 122.687 0.395 . . . . 0.0 110.673 178.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.27 -73.29 0.25 Allowed Glycine 0 C--N 1.337 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -165.3 113.18 0.99 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.94 131.59 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.55 -23.77 61.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -168.11 171.74 9.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.789 0.435 . . . . 0.0 110.752 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -154.89 131.45 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.088 0.955 . . . . 0.0 108.785 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -152.54 161.16 42.96 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.47 96.74 4.78 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 -7.7 2.41 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 125.276 3.984 . . . . 0.0 117.755 -172.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 31.02 -117.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.113 0.965 . . . . 0.0 111.139 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.71 5.26 1.56 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.854 0.862 . . . . 0.0 111.697 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 43.38 7.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.577 2.751 . . . . 0.0 115.846 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.93 -21.08 0.57 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.799 0.727 . . . . 0.0 112.655 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 p -128.86 -11.86 4.81 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.029 0.377 . . . . 0.0 111.374 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 43.82 44.13 5.51 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.821 1.248 . . . . 0.0 114.09 170.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.17 7.69 2.66 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -61.88 -41.39 97.82 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.054 0.843 . . . . 0.0 110.507 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 14.04 66.93 0.01 OUTLIER 'General case' 0 C--N 1.34 0.172 0 C-N-CA 127.723 2.409 . . . . 0.0 114.109 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.1 -3.4 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.256 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.23 178.88 9.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.16 0.98 . . . . 0.0 109.915 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.52 -179.86 7.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.964 0.505 . . . . 0.0 110.117 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -148.5 76.83 1.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.724 0.81 . . . . 0.0 109.99 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 25.7 t -80.85 158.28 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.48 160.57 40.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.974 0.807 . . . . 0.0 111.092 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -127.51 166.72 17.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.041 0.936 . . . . 0.0 108.815 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -139.41 12.37 2.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -133.65 135.71 44.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -62.73 -36.81 84.2 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -68.97 -40.96 78.54 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.898 0.772 . . . . 0.0 110.726 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.75 -29.86 56.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.03 -33.16 70.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.97 -0.456 . . . . 0.0 110.63 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -73.44 -38.1 65.63 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.561 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.68 -35.95 73.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.459 -0.305 . . . . 0.0 111.218 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.47 -29.04 20.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.361 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.23 -8.97 50.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.829 0.286 . . . . 0.0 111.187 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.59 -7.34 3.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.432 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.5 mmt -118.9 -26.51 6.01 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.677 0.671 . . . . 0.0 112.342 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.42 126.17 28.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 119.864 1.211 . . . . 0.0 110.437 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.26 0.99 85.11 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.513 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.02 -177.06 1.54 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.629 0.714 . . . . 0.0 110.903 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.53 142.03 41.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.081 0 C-N-CA 123.742 0.817 . . . . 0.0 109.415 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.43 -53.15 2.67 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 122.474 0.309 . . . . 0.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -137.82 -3.81 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.91 -7.38 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.774 -0.459 . . . . 0.0 112.798 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -109.94 -165.32 1.0 Allowed 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.562 0.681 . . . . 0.0 109.674 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -104.3 162.25 13.37 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.776 0.431 . . . . 0.0 110.129 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.49 151.3 49.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 21.6 mmt180 -139.87 137.61 35.03 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.042 0.448 . . . . 0.0 111.132 -172.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -152.12 124.85 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.531 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -164.44 165.93 21.0 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.492 0.317 . . . . 0.0 110.269 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.9 144.24 55.25 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.783 0.433 . . . . 0.0 111.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.94 178.34 4.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.872 0.469 . . . . 0.0 111.431 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -137.8 -15.48 1.36 Allowed 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.74 173.23 11.91 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.99 0.516 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.16 -33.95 4.11 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 172.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -154.97 145.63 16.19 Favored Pre-proline 0 N--CA 1.446 -0.654 0 C-N-CA 125.635 1.574 . . . . 0.0 107.626 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.18 120.63 8.16 Favored 'Trans proline' 0 N--CA 1.45 -1.07 1 C-N-CA 125.486 4.124 . . . . 0.0 110.319 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.45 -0.85 10.94 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 124.118 3.212 . . . . 0.0 112.845 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.97 32.72 2.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.373 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 174.21 41.73 Favored Glycine 0 C--N 1.336 0.555 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ptm85 -60.03 154.18 51.5 Favored Pre-proline 0 N--CA 1.449 -0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.85 160.75 47.01 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.839 3.693 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.68 160.4 48.26 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.058 2.505 . . . . 0.0 110.127 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.62 18.81 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 124.304 3.336 . . . . 0.0 112.054 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 11' ' ' GLU . 31.4 t0 -138.63 23.96 2.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.358 0.526 . . . . 0.0 111.814 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.9 9.56 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 123.106 0.563 . . . . 0.0 112.159 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 9' ' ' ASP . 35.8 mt-10 -126.63 11.71 7.34 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.315 0.646 . . . . 0.0 110.072 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.87 17.81 2.99 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.734 0.683 . . . . 0.0 111.739 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.6 mtm -141.73 169.71 17.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.492 0.717 . . . . 0.0 110.465 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 m -63.99 159.64 19.6 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -150.02 125.77 10.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -131.18 93.95 3.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.717 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 46.6 tttp -64.53 147.16 53.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.407 1.083 . . . . 0.0 110.869 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 93.4 t -134.67 137.76 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.819 1.247 . . . . 0.0 108.027 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.63 -174.69 4.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.966 0.906 . . . . 0.0 112.395 -172.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 70.94 93.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.66 1.584 . . . . 0.0 111.452 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.508 ' CD2' ' HB ' ' A' ' 25' ' ' THR . 5.3 mt -117.51 169.7 9.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.555 1.542 . . . . 0.0 112.534 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.569 HG21 HH11 ' A' ' 83' ' ' ARG . 44.6 p -109.66 166.2 11.09 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.419 0.628 . . . . 0.0 110.196 165.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -71.22 4.7 2.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.08 172.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -121.67 -1.77 9.46 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 110.564 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.508 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 24.6 m -109.58 166.66 10.73 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 172.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 73.3 m -150.7 164.05 21.76 Favored Pre-proline 0 N--CA 1.457 -0.104 0 O-C-N 122.151 -0.343 . . . . 0.0 110.595 -170.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 54.2 Cg_endo -67.5 -16.72 47.95 Favored 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 122.477 2.118 . . . . 0.0 111.784 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.55 -34.11 60.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -49.04 66.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.23 -32.17 73.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.837 -178.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 -61.22 -40.06 92.6 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -88.75 -37.58 15.36 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.58 0.752 . . . . 0.0 111.286 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.08 -36.36 71.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 124.416 1.087 . . . . 0.0 110.937 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 45.8 m-85 -101.22 -11.91 19.14 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.7 -32.35 70.43 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.274 -0.266 . . . . 0.0 111.707 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.11 -19.65 64.05 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 61.2 m-85 -80.0 -11.93 59.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.813 0.445 . . . . 0.0 110.92 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.52 -85.39 0.14 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -152.52 121.85 6.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -57.3 -18.3 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.28 2.33 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.0 1.286 . . . . 0.0 111.96 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -155.64 163.58 39.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.868 0.867 . . . . 0.0 108.703 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.77 121.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -146.16 169.1 19.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.065 0.46 . . . . 0.0 111.62 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' A' ' 47' ' ' ARG . 56.9 mt -141.58 97.48 6.66 Favored Pre-proline 0 N--CA 1.457 -0.116 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 174.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -54.06 16.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 1 C-N-CA 126.848 5.032 . . . . 0.0 117.037 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 45' ' ' ILE . 19.2 ptt180 -58.35 160.15 5.49 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.841 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.6 129.25 40.15 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.025 0.441 . . . . 0.0 111.506 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -67.03 1.89 1.75 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.975 1.31 . . . . 0.0 112.955 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.81 -9.26 1.2 Allowed 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -134.72 -15.38 2.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.72 0.408 . . . . 0.0 111.542 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 35.59 42.76 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.97 2.108 . . . . 0.0 114.515 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.58 28.72 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.1 0.56 . . . . 0.0 111.64 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -128.83 35.67 4.31 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 123.419 0.688 . . . . 0.0 110.572 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -64.39 3.91 0.42 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.783 0.833 . . . . 0.0 112.546 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.3 11.8 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.041 0.829 . . . . 0.0 113.367 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -152.69 177.97 10.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.036 0.918 . . . . 0.0 110.767 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.37 5.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.932 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -149.08 59.91 1.04 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.558 1.143 . . . . 0.0 109.023 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 10.0 t -69.91 145.2 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 170.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 ttp-105 -144.91 105.03 4.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.967 1.258 . . . . 0.0 112.779 -172.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -73.36 161.95 29.88 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -128.01 6.52 6.0 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.218 0.607 . . . . 0.0 111.91 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -129.98 126.73 38.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.0 -30.3 71.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -171.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.74 -43.71 68.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.266 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.53 -27.72 58.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.26 -39.26 59.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.489 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -75.47 -39.62 58.43 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.606 0.639 . . . . 0.0 111.032 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 119.313 -0.375 . . . . 0.0 111.475 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.403 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 19.8 ptt? -88.88 -27.02 21.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.97 0.805 . . . . 0.0 110.861 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.59 -6.66 48.03 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 122.144 0.177 . . . . 0.0 110.853 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.38 -5.93 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.56 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 4.5 mmt -123.31 -14.78 7.37 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 174.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.07 61.84 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.334 1.425 . . . . 0.0 112.217 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.52 -2.05 0.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.027 0.823 . . . . 0.0 111.94 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.02 -174.71 2.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.626 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.9 t -132.24 142.79 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 C-N-CA 123.803 0.841 . . . . 0.0 110.595 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.9 tp -148.55 138.29 22.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 172.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.0 t70 56.05 3.62 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.781 1.232 . . . . 0.0 113.162 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.92 7.38 44.4 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.569 HH11 HG21 ' A' ' 22' ' ' THR . 5.6 ptt-85 -107.67 -157.93 0.63 Allowed 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.137 0.975 . . . . 0.0 109.393 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -113.97 170.34 8.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -132.59 150.64 52.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -140.48 144.06 35.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.3 p -163.93 134.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -163.58 171.53 15.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.1 mmt -63.62 162.9 12.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.533 0.206 . . . . 0.0 110.624 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.04 179.68 3.88 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 111.596 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -138.58 179.01 6.72 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 124.14 0.976 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 50.11 -153.18 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.893 0.477 . . . . 0.0 110.697 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.19 -46.59 0.05 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -158.34 150.35 17.35 Favored Pre-proline 0 N--CA 1.451 -0.391 0 C-N-CA 125.56 1.544 . . . . 0.0 107.529 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.89 137.75 21.71 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 125.007 3.805 . . . . 0.0 111.821 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.78 -31.25 5.39 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.897 2.398 . . . . 0.0 111.196 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -169.68 111.76 0.47 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.705 0.802 . . . . 0.0 109.494 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.557 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 173.35 44.12 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -52.39 151.56 7.28 Favored Pre-proline 0 N--CA 1.447 -0.577 0 C-N-CA 123.818 0.847 . . . . 0.0 111.838 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.2 157.29 54.14 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.066 3.177 . . . . 0.0 110.14 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.21 162.01 41.6 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.664 2.909 . . . . 0.0 110.194 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -83.2 24.91 0.71 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 124.292 3.328 . . . . 0.0 112.882 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -137.36 14.16 3.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.55 -9.97 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.538 0.735 . . . . 0.0 111.164 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.24 12.54 16.51 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.019 0.528 . . . . 0.0 110.823 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.31 9.7 6.21 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtm -145.01 175.47 10.21 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.707 0.803 . . . . 0.0 110.219 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.4 m -58.53 160.16 5.72 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.833 0.853 . . . . 0.0 110.129 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -149.95 132.03 15.33 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 6.4 tp -137.78 95.01 2.97 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.744 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -69.94 160.37 32.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.923 0.392 . . . . 0.0 111.078 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 54.2 t -141.99 132.8 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.567 0.747 . . . . 0.0 109.785 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -155.99 -178.49 7.34 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.0 t30 90.2 -0.08 0.24 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.668 2.387 . . . . 0.0 114.156 170.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.613 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.81 171.78 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.705 0.684 . . . . 0.0 112.302 176.454 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 p -72.88 167.1 21.68 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.473 0.654 . . . . 0.0 112.575 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -74.16 10.13 1.35 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.288 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -124.6 -12.99 7.13 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.717 0.807 . . . . 0.0 111.552 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -68.05 165.24 18.41 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.6 m -136.84 156.59 75.89 Favored Pre-proline 0 C--O 1.233 0.193 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.45 -18.07 43.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.946 2.431 . . . . 0.0 112.056 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 -31.73 48.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 -50.28 55.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.13 -32.42 73.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.27 -45.97 89.77 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -82.54 -39.15 22.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.654 0.264 . . . . 0.0 110.756 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.58 -32.02 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 111.292 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 36.0 m-85 -107.27 -10.08 15.91 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 118.164 0.438 . . . . 0.0 112.149 -175.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.24 -25.07 65.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.496 0.189 . . . . 0.0 110.851 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.38 -21.6 59.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 65.7 m-85 -77.99 -14.36 59.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.178 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.97 -61.57 0.47 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.388 -0.674 . . . . 0.0 113.75 171.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.17 90.42 1.27 Allowed 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.054 0.927 . . . . 0.0 113.198 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.01 62.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.454 1.102 . . . . 0.0 108.556 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.23 -20.36 9.66 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.976 1.274 . . . . 0.0 113.344 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -153.12 156.67 39.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.954 0.877 . . . . 0.0 109.447 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.37 124.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 C-N-CA 124.052 0.941 . . . . 0.0 108.711 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -151.52 167.8 26.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.5 -176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.409 ' C ' ' H ' ' A' ' 47' ' ' ARG . 52.3 mt -142.86 91.34 7.3 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 124.251 1.02 . . . . 0.0 108.252 175.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.35 17.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.471 4.114 . . . . 0.0 115.003 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 37.2 ptt180 -41.72 -63.11 0.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.886 0.766 . . . . 0.0 112.11 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.496 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 7.1 t70 -163.73 -175.71 4.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -139.06 7.28 2.43 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.987 0.422 . . . . 0.0 110.845 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -137.12 -11.76 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.56 0.744 . . . . 0.0 111.259 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.1 p -130.32 -14.05 3.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.19 0.596 . . . . 0.0 110.776 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt 27.69 53.77 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.366 2.266 . . . . 0.0 114.259 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.47 -5.62 1.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 56' ' ' GLY . 37.7 m -79.52 39.42 0.4 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.549 0.613 . . . . 0.0 111.177 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.57 14.81 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.659 1.584 . . . . 0.0 114.426 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -68.01 0.99 9.05 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.397 -0.668 . . . . 0.0 113.386 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -158.93 178.58 9.93 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.33 1.065 . . . . 0.0 110.76 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.96 -173.61 4.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.774 0.83 . . . . 0.0 109.758 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.57 91.79 1.69 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.104 0.562 . . . . 0.0 109.764 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.09 160.66 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.6 ttp-105 -140.35 146.98 39.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 111.358 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -116.09 161.42 18.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.335 171.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -136.37 17.76 3.16 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.73 134.13 40.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.67 -36.91 82.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -69.98 -41.0 75.01 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.589 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.16 -25.76 39.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.29 55.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.489 -0.132 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.32 -33.16 69.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.348 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.65 -38.36 70.71 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.734 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.212 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.54 -28.09 20.98 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.588 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.54 -9.42 49.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.921 -0.487 . . . . 0.0 111.19 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 -5.78 3.06 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.56 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.0 mmt -124.66 -20.62 5.03 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.52 61.4 1.29 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.874 1.215 . . . . 0.0 111.542 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -5.46 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.884 0.754 . . . . 0.0 111.863 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -178.99 1.45 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.565 0.746 . . . . 0.0 111.524 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -136.38 127.47 42.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.544 0.738 . . . . 0.0 109.264 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.49 -54.25 6.65 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -148.75 -15.64 0.32 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.9 22.64 0.02 OUTLIER Glycine 0 CA--C 1.528 0.853 0 CA-C-N 118.654 0.661 . . . . 0.0 113.863 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -135.19 -149.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.412 1.085 . . . . 0.0 108.889 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.8 165.68 14.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.892 0.477 . . . . 0.0 110.076 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.65 158.32 38.86 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -138.67 138.43 37.78 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 122.689 0.396 . . . . 0.0 110.636 -173.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.1 t -152.34 118.1 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.271 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -158.79 168.33 27.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.752 0.31 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.3 mmt -66.46 148.68 51.53 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 110.526 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.39 179.58 5.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.72 0.295 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -138.67 -7.49 1.46 Allowed 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.112 0.565 . . . . 0.0 112.488 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.33 178.2 6.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.49 0.716 . . . . 0.0 110.521 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.69 19.91 6.54 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 122.43 147.53 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.201 0 C-N-CA 131.299 3.839 . . . . 0.0 108.912 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.94 143.31 99.6 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 125.171 3.914 . . . . 0.0 110.854 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.83 -11.98 21.86 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.033 3.155 . . . . 0.0 112.211 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.12 160.57 42.91 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.097 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.322 0.582 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.59 169.62 38.67 Favored Glycine 0 C--N 1.334 0.466 0 CA-C-O 121.352 0.418 . . . . 0.0 112.719 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.4 20.92 Favored Pre-proline 0 N--CA 1.448 -0.548 0 C-N-CA 124.389 1.075 . . . . 0.0 112.647 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.86 165.81 28.56 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.995 3.797 . . . . 0.0 110.611 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -66.38 154.98 72.21 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.982 2.455 . . . . 0.0 110.883 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -79.06 18.2 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 124.901 3.734 . . . . 0.0 113.023 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -136.81 16.2 3.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.263 0.483 . . . . 0.0 111.969 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.8 -16.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 O-C-N 121.995 -0.44 . . . . 0.0 111.485 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.51 -7.93 54.65 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.455 0.702 . . . . 0.0 111.929 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.69 20.93 4.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 123.42 0.533 . . . . 0.0 112.601 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.3 mtm -141.46 164.52 30.0 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 117.739 0.769 . . . . 0.0 110.527 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -77.58 177.27 8.2 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.843 0.457 . . . . 0.0 110.24 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -147.36 135.61 21.57 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.501 0.721 . . . . 0.0 110.049 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.6 tm? -133.52 93.39 3.13 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 122.706 0.402 . . . . 0.0 110.394 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -69.02 154.83 41.39 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.068 1.347 . . . . 0.0 111.903 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 76.6 t -138.35 135.62 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 125.259 1.424 . . . . 0.0 108.067 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.86 177.91 10.96 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 85.38 12.41 0.23 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.029 2.131 . . . . 0.0 114.523 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -59.63 174.62 0.43 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.126 0.876 . . . . 0.0 112.515 178.348 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.7 p -78.83 169.67 17.86 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 121.51 0.671 . . . . 0.0 111.973 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -77.23 11.17 2.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.083 175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -126.79 -16.43 5.2 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.684 0.794 . . . . 0.0 111.891 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 84.9 m -74.54 167.08 22.44 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -140.85 162.02 50.85 Favored Pre-proline 0 CA--C 1.528 0.132 0 O-C-N 122.118 -0.364 . . . . 0.0 110.361 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.55 -17.08 43.41 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.159 1.906 . . . . 0.0 111.116 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.68 -43.24 72.89 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -51.74 54.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.9 mt -58.21 -26.6 63.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.961 -172.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -68.88 -42.11 77.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.222 0.464 . . . . 0.0 110.572 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -86.79 -41.91 13.72 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.8 m -67.12 -24.73 32.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 111.473 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 38.0 m-85 -96.8 -16.8 20.62 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 118.26 0.482 . . . . 0.0 112.293 174.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.18 -30.51 37.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.129 0.422 . . . . 0.0 111.841 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.97 -21.59 61.56 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 77.0 m-85 -84.45 -16.13 43.63 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 122.449 0.3 . . . . 0.0 110.773 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.7 -160.1 27.36 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -61.42 90.36 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.01 53.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.84 -8.23 5.51 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.166 1.365 . . . . 0.0 113.342 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.53 145.79 27.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 117.458 0.629 . . . . 0.0 109.556 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -153.77 107.41 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -137.24 165.67 25.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 47' ' ' ARG . 56.8 mt -140.42 96.97 7.66 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.48 20.83 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.526 1 C-N-CA 126.818 5.012 . . . . 0.0 116.841 178.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 45' ' ' ILE . 27.3 mtp180 -48.05 145.46 3.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.804 0.729 . . . . 0.0 110.403 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.06 125.17 17.9 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 ttt-85 -62.84 5.22 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.58 1.552 . . . . 0.0 113.68 -173.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -143.96 -8.32 0.71 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -139.15 -22.48 0.92 Allowed 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.087 0.403 . . . . 0.0 111.662 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 46.28 24.57 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.934 1.694 . . . . 0.0 114.317 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.45 22.51 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.246 1.018 . . . . 0.0 113.067 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -133.67 38.08 3.26 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -170.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -59.67 -6.64 1.22 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.398 1.079 . . . . 0.0 112.756 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.8 4.93 4.95 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 119.198 -0.779 . . . . 0.0 114.626 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -159.13 176.4 12.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.254 1.527 . . . . 0.0 111.626 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.27 -173.33 4.47 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.924 0.89 . . . . 0.0 110.82 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -148.9 60.54 1.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.32 1.448 . . . . 0.0 108.834 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 34.8 t -71.42 147.51 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 171.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 17.4 ttp-105 -141.17 143.85 34.46 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 112.305 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.08 161.61 15.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.241 171.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -126.29 15.53 7.77 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.194 0.598 . . . . 0.0 112.366 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -140.01 141.98 36.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.245 0.475 . . . . 0.0 110.223 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -60.25 -37.78 81.47 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.9 -37.5 64.64 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 119.046 0.839 . . . . 0.0 110.601 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -76.55 -31.51 57.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.2 67.28 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 122.853 0.461 . . . . 0.0 111.531 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -31.98 66.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 122.049 -0.407 . . . . 0.0 111.726 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -74.72 -38.28 62.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.66 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.83 72.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.804 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.59 -29.68 19.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 118.724 0.693 . . . . 0.0 110.494 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.79 -9.7 46.45 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.187 -0.32 . . . . 0.0 111.324 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.42 -6.32 3.33 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.432 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 mmt -120.78 -23.06 6.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.729 0.695 . . . . 0.0 112.625 174.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.8 125.63 26.88 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.739 1.154 . . . . 0.0 109.655 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.45 1.68 88.84 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.316 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 -174.54 0.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.7 0.75 . . . . 0.0 111.49 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -135.67 148.32 28.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.31 -53.32 2.67 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.096 0.559 . . . . 0.0 109.797 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -140.97 -3.65 1.23 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.44 -13.5 0.6 Allowed Glycine 0 C--N 1.341 0.836 0 O-C-N 122.089 -0.382 . . . . 0.0 112.681 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -91.74 -155.68 0.42 Allowed 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 117.662 0.731 . . . . 0.0 109.773 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 167.98 10.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.392 0.677 . . . . 0.0 109.68 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.89 156.17 49.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -141.57 144.83 34.46 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.2 t -153.44 125.09 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.281 1.032 . . . . 0.0 108.249 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -165.06 165.05 20.29 Favored 'General case' 0 C--O 1.227 -0.095 0 CA-C-N 117.817 0.28 . . . . 0.0 110.632 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.87 153.86 31.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.609 0.364 . . . . 0.0 110.974 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.4 174.18 5.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -127.46 -12.93 5.54 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.33 0.652 . . . . 0.0 112.646 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -149.56 165.27 32.73 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.12 0.418 . . . . 0.0 110.294 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.24 -37.94 54.41 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.492 ' HB2' ' CD ' ' A' ' 95' ' ' PRO . 4.3 ppt_? 159.0 167.73 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 129.807 3.243 . . . . 0.0 109.393 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.492 ' CD ' ' HB2' ' A' ' 94' ' ' ARG . 35.6 Cg_exo -54.69 145.26 60.85 Favored 'Trans proline' 0 N--CA 1.456 -0.685 1 C-N-CA 125.69 4.26 . . . . 0.0 112.365 -172.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.7 -44.16 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.97 2.447 . . . . 0.0 113.107 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -155.41 25.48 0.41 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.081 0.553 . . . . 0.0 111.913 -172.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.884 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 169.51 28.67 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -54.49 148.95 22.67 Favored Pre-proline 0 N--CA 1.454 -0.24 0 C-N-CA 123.822 0.849 . . . . 0.0 111.198 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 157.7 57.01 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.417 3.412 . . . . 0.0 111.035 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.98 160.99 33.32 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.642 2.895 . . . . 0.0 111.291 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.83 31.22 0.48 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 124.797 3.665 . . . . 0.0 111.348 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 11' ' ' GLU . 25.6 t0 -132.91 21.1 4.15 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.614 0.366 . . . . 0.0 111.724 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.79 16.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.964 0.905 . . . . 0.0 113.023 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 9' ' ' ASP . 40.3 mt-10 -125.25 10.24 8.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.795 0.838 . . . . 0.0 110.153 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 43.35 0.71 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.484 ' HG2' ' H ' ' A' ' 15' ' ' SER . 55.8 ttm -132.51 145.51 51.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.985 0.914 . . . . 0.0 110.539 -169.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.5 m -70.14 -28.69 65.56 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.595 0.358 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.484 ' H ' ' HG2' ' A' ' 13' ' ' MET . 39.6 m 46.82 50.16 13.68 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 125.574 1.549 . . . . 0.0 113.949 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.85 96.35 3.09 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.711 -0.618 . . . . 0.0 110.153 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.73 155.12 41.17 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.993 0.36 . . . . 0.0 111.221 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.33 135.13 35.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.045 0.938 . . . . 0.0 109.368 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -157.12 -174.9 5.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.127 0.971 . . . . 0.0 112.337 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 74.57 6.66 4.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.696 1.999 . . . . 0.0 114.683 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' H ' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -61.62 175.09 0.66 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.879 0.763 . . . . 0.0 111.148 173.285 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 p -80.03 166.45 21.55 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.042 0.448 . . . . 0.0 111.988 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -77.91 -4.33 46.27 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.815 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -97.85 -18.7 18.57 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.2 m -71.11 167.49 19.19 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 74.4 m -141.62 161.08 53.98 Favored Pre-proline 0 CA--C 1.528 0.108 0 C-N-CA 122.933 0.493 . . . . 0.0 109.873 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 59.7 Cg_endo -69.81 -18.15 36.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.655 2.236 . . . . 0.0 111.678 -175.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.86 -31.18 51.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -50.48 44.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.65 -32.09 73.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.45 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -59.92 -44.86 94.07 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -82.8 -38.84 22.55 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 117.835 0.289 . . . . 0.0 111.291 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.71 -33.94 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -104.31 -11.42 17.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.09 -21.38 64.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.67 -19.05 61.5 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.876 -0.515 . . . . 0.0 112.144 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 84.5 m-85 -87.04 -13.44 44.35 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.401 0.68 . . . . 0.0 111.124 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.65 21.36 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -176.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -64.46 120.45 12.31 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.74 -17.12 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.928 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.29 -58.86 1.93 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 124.875 1.226 . . . . 0.0 111.884 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -151.73 159.11 44.09 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.865 0.866 . . . . 0.0 109.094 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.96 122.69 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -145.82 166.59 25.5 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 47' ' ' ARG . 43.1 mt -143.92 93.21 6.16 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 124.672 1.189 . . . . 0.0 107.92 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -62.34 16.59 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.356 1 C-N-CA 125.617 4.211 . . . . 0.0 115.259 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 31.1 ptt180 -41.19 -62.42 0.84 Allowed 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.8 0.84 . . . . 0.0 113.123 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.431 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 6.5 m-20 -154.02 -179.49 7.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.168 0.987 . . . . 0.0 109.022 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -134.64 16.35 3.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.47 0.176 . . . . 0.0 110.828 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -137.52 -21.15 1.16 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.244 0.618 . . . . 0.0 112.237 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -136.01 -10.31 2.02 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 122.717 0.407 . . . . 0.0 112.055 -174.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 32.06 61.38 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.993 1.717 . . . . 0.0 113.273 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.91 -8.52 1.04 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' GLY . 10.0 t -78.47 39.68 0.34 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.765 0.712 . . . . 0.0 111.057 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -65.41 15.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.517 1.527 . . . . 0.0 114.311 -174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -66.06 -3.29 16.63 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.223 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -154.49 -176.35 5.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.175 0.987 . . . . 0.0 110.057 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -154.36 -176.9 6.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.338 0.655 . . . . 0.0 110.042 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -147.98 75.75 1.35 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.184 0.994 . . . . 0.0 109.042 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -76.16 148.44 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -148.75 106.04 3.63 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.733 0.697 . . . . 0.0 112.302 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -79.53 164.38 23.93 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 122.7 0.4 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -122.79 -6.13 8.55 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.142 0.577 . . . . 0.0 112.479 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -123.19 143.48 49.99 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 118.161 0.437 . . . . 0.0 111.18 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.19 -48.49 81.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.425 0.69 . . . . 0.0 112.613 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -73.9 -35.9 64.71 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 117.88 0.309 . . . . 0.0 111.77 -172.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.62 -30.52 67.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.34 -39.09 23.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.96 -30.19 68.57 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 121.779 -0.576 . . . . 0.0 111.243 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -76.22 -38.65 56.14 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.578 0.626 . . . . 0.0 110.29 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.98 70.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.557 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -91.24 -26.33 19.06 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 110.998 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.18 -9.48 58.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.111 0.164 . . . . 0.0 111.063 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 -9.75 3.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.561 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.0 mmt -115.18 -22.45 9.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.105 0.866 . . . . 0.0 112.909 174.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.35 125.34 23.81 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.834 1.197 . . . . 0.0 110.222 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 4.05 72.13 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.795 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.95 -178.22 1.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.897 0.848 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -141.74 149.56 19.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.7 -7.19 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.4 7.99 0.26 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.432 0.56 . . . . 0.0 111.805 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.05 5.3 44.08 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.551 -0.583 . . . . 0.0 111.883 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -106.82 -149.21 0.43 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -124.57 165.57 17.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.63 154.47 51.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -142.69 146.0 33.96 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.673 0.749 . . . . 0.0 111.642 -173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 p -164.04 135.12 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.129 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -169.3 171.65 7.75 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.57 158.67 20.53 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.96 -173.42 2.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 112.219 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -131.62 175.11 9.45 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.404 1.081 . . . . 0.0 109.063 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 51.57 -165.52 0.05 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.376 0.608 . . . . 0.0 111.347 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -114.47 -35.99 1.36 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 107.166 -2.374 . . . . 0.0 107.166 167.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -170.37 161.89 6.25 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 126.883 2.073 . . . . 0.0 105.54 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -55.62 141.06 84.24 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 124.404 3.403 . . . . 0.0 111.553 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.26 -6.99 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.846 3.031 . . . . 0.0 111.822 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -143.96 -171.67 3.6 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.71 1.204 . . . . 0.0 109.213 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 p . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 122.412 0.285 . . . . 0.0 111.396 -178.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.712 0.291 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.28 41.6 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -58.23 153.1 38.38 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.036 0.934 . . . . 0.0 111.527 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.69 157.88 47.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.239 3.293 . . . . 0.0 110.619 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.59 146.43 53.69 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.701 2.934 . . . . 0.0 111.92 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -77.88 6.57 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.07 3.18 . . . . 0.0 111.818 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -142.87 21.52 1.96 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.16 0.584 . . . . 0.0 111.246 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.26 -20.02 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.201 1.0 . . . . 0.0 111.957 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.16 -6.99 51.0 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.47 0.708 . . . . 0.0 112.555 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.8 30.25 3.79 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.91 0.767 . . . . 0.0 112.996 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.4 mtm -134.61 173.32 11.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 117.93 0.865 . . . . 0.0 110.858 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -56.46 -33.82 66.29 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 123.227 0.611 . . . . 0.0 111.751 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m 40.76 47.56 2.5 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.831 1.252 . . . . 0.0 113.562 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -68.6 92.67 0.47 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.04 0.536 . . . . 0.0 110.41 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 11.7 pttp -70.25 164.01 25.26 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.777 0.717 . . . . 0.0 111.469 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 76.7 t -143.75 134.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 124.383 1.073 . . . . 0.0 109.053 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -153.41 177.25 11.1 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.518 0.727 . . . . 0.0 112.533 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 91.23 21.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.739 2.016 . . . . 0.0 113.622 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 175.84 0.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.63 0.772 . . . . 0.0 113.027 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' ARG . 16.2 p -84.33 167.93 16.08 Favored 'General case' 0 CA--C 1.524 -0.058 0 CA-C-O 121.551 0.691 . . . . 0.0 111.07 178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -70.87 9.14 0.73 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.603 0.761 . . . . 0.0 111.786 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' THR . 22.1 mmt180 -133.16 -7.39 3.02 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.088 0.955 . . . . 0.0 112.325 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -70.22 162.35 28.58 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 69.9 m -139.31 160.21 62.99 Favored Pre-proline 0 C--O 1.233 0.231 0 C-N-CA 123.445 0.698 . . . . 0.0 109.942 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.4 Cg_endo -72.22 -16.41 28.27 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.46 2.106 . . . . 0.0 111.635 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.39 -31.46 42.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -50.22 53.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.0 -30.94 71.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -61.26 -44.68 96.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -81.17 -39.97 24.67 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 122.329 -0.232 . . . . 0.0 110.854 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.2 -33.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 111.207 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 38.3 m-85 -103.63 -11.2 17.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.26 -21.41 64.81 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.805 0.275 . . . . 0.0 111.695 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.228 -0.064 0 O-C-N 121.83 -0.544 . . . . 0.0 111.795 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 79.1 m-85 -85.47 -14.26 46.61 Favored 'General case' 0 N--CA 1.458 -0.034 0 C-N-CA 123.231 0.612 . . . . 0.0 111.49 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.12 -175.05 23.44 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 108.349 -1.9 . . . . 0.0 108.349 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.27 119.46 10.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 m -58.52 -15.82 6.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.13 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.31 -56.89 2.84 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.554 1.073 . . . . 0.0 112.163 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -156.81 163.58 39.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.813 0.845 . . . . 0.0 108.784 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.7 127.4 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -150.88 155.44 39.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.906 0.384 . . . . 0.0 111.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -141.21 95.04 7.54 Favored Pre-proline 0 N--CA 1.456 -0.166 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -74.11 -6.07 17.93 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.377 3.385 . . . . 0.0 115.776 -165.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 47' ' ' ARG . 10.9 mmt-85 35.43 -125.8 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -171.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.1 130.37 20.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 168.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -71.44 16.04 0.11 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.83 -13.01 1.26 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -136.26 -11.19 1.93 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.72 0.408 . . . . 0.0 111.731 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 37.52 48.57 0.9 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.342 1.857 . . . . 0.0 114.065 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.95 5.84 3.1 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 56' ' ' GLY . 19.2 m -85.51 35.69 0.62 Allowed 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.698 -0.626 . . . . 0.0 111.413 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.07 3.4 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.579 1.552 . . . . 0.0 112.859 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -66.23 -6.75 34.73 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 119.135 -0.814 . . . . 0.0 114.004 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -153.86 -179.55 7.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.173 1.487 . . . . 0.0 111.617 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.36 178.79 7.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 62.27 0.92 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 21.5 t -75.3 148.37 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 171.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -152.09 109.09 3.52 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.894 1.224 . . . . 0.0 113.987 -173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.94 167.11 20.91 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.323 0.649 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -132.36 7.49 4.22 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.021 0.528 . . . . 0.0 112.188 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.14 134.37 45.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 122.736 0.414 . . . . 0.0 110.086 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.5 -34.24 75.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -172.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -76.56 -40.24 50.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.934 0.788 . . . . 0.0 110.939 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -70.92 -29.48 65.54 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.49 -41.95 19.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.76 -32.74 74.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.779 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.97 -38.54 66.68 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.527 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.47 71.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 119.265 -0.398 . . . . 0.0 111.525 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -91.25 -27.46 18.43 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 118.76 0.709 . . . . 0.0 110.794 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.9 -10.2 57.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.154 0.182 . . . . 0.0 111.036 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.28 -9.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.574 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 6.5 mmt -115.93 -23.85 8.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.149 0.886 . . . . 0.0 113.208 174.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.99 120.68 11.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.006 1.275 . . . . 0.0 110.153 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.7 4.46 85.19 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.35 -172.35 0.91 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.551 0.676 . . . . 0.0 111.344 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.42 149.28 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.894 0.877 . . . . 0.0 109.137 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 tp -120.39 -60.05 1.71 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.414 0.286 . . . . 0.0 111.599 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -118.05 -7.79 10.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.78 -14.85 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.248 0.452 . . . . 0.0 111.989 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -93.34 -160.76 0.78 Allowed 'General case' 0 C--N 1.341 0.219 0 CA-C-N 117.411 0.605 . . . . 0.0 109.456 176.307 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.75 169.73 8.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -136.36 156.53 48.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -144.95 154.32 42.46 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.457 0.646 . . . . 0.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -170.02 131.59 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.877 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -169.69 165.26 10.08 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 122.91 0.484 . . . . 0.0 109.954 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.09 148.97 46.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.727 0.411 . . . . 0.0 111.194 -177.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.71 177.55 4.09 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.932 0.493 . . . . 0.0 111.612 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -141.96 -6.72 0.96 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.16 -177.89 4.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.104 0.562 . . . . 0.0 111.102 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.89 21.65 5.85 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.351 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 122.97 144.66 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 130.786 3.634 . . . . 0.0 109.391 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -70.25 129.94 17.91 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 125.137 3.891 . . . . 0.0 112.445 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -83.23 179.22 5.25 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.961 3.107 . . . . 0.0 110.055 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.97 31.49 1.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.658 1.183 . . . . 0.0 114.118 174.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.339 0.12 0 O-C-N 121.964 -0.46 . . . . 0.0 111.213 177.44 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -158.34 -179.16 7.84 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 51.16 -161.34 0.08 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.783 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.85 148.12 19.76 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 96.4 mtt180 -66.23 152.22 94.51 Favored Pre-proline 0 N--CA 1.448 -0.534 0 C-N-CA 122.535 0.334 . . . . 0.0 110.643 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 75.1 Cg_exo -49.8 148.73 11.95 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 124.461 3.441 . . . . 0.0 112.041 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.81 160.41 40.74 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.714 2.943 . . . . 0.0 111.086 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.1 39.38 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 1 C-N-CA 125.616 4.211 . . . . 0.0 111.145 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -129.31 15.29 6.13 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.063 0.545 . . . . 0.0 111.482 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.25 -10.05 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.23 0.612 . . . . 0.0 112.325 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.67 -7.06 53.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.965 0.506 . . . . 0.0 112.031 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.75 12.46 0.31 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.627 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.475 ' HG2' ' H ' ' A' ' 15' ' ' SER . 57.3 ttm -61.38 141.05 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.99 0.916 . . . . 0.0 110.952 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.5 m -73.05 -29.11 62.73 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.475 ' H ' ' HG2' ' A' ' 13' ' ' MET . 32.8 m 55.96 41.59 29.68 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 124.511 1.125 . . . . 0.0 113.256 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 tp -68.73 144.78 54.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 15.0 pttp -126.97 165.46 19.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.014 0.825 . . . . 0.0 111.846 170.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 92.1 t -140.06 138.52 37.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.928 0.891 . . . . 0.0 109.701 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.95 -177.56 6.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.09 1.356 . . . . 0.0 111.056 -175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 91.03 -0.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.322 2.249 . . . . 0.0 113.526 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' H ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.85 179.64 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.841 0.856 . . . . 0.0 111.527 176.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -92.04 169.73 10.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.226 0.536 . . . . 0.0 112.076 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -74.75 7.13 3.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.348 0.659 . . . . 0.0 111.472 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -122.52 -11.44 8.29 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 124.047 0.939 . . . . 0.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -66.44 165.62 14.0 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -143.86 157.44 57.99 Favored Pre-proline 0 C--O 1.233 0.217 0 C-N-CA 122.683 0.393 . . . . 0.0 110.129 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.24 -24.25 23.42 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.875 2.384 . . . . 0.0 112.891 -172.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.0 -28.18 65.3 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -55.22 8.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.39 -29.17 69.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.156 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -61.43 -46.68 89.08 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ttm105 -81.43 -38.69 26.08 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.714 0.406 . . . . 0.0 111.042 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.08 -34.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.262 1.025 . . . . 0.0 111.424 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 33.1 m-85 -100.76 -11.38 19.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.09 -25.8 67.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.391 0.277 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.99 -22.25 59.68 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 122.825 0.45 . . . . 0.0 111.887 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 74.8 m-85 -74.41 -14.77 60.9 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.52 -60.93 0.46 Allowed Glycine 0 C--N 1.34 0.769 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.385 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -153.29 96.61 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.546 0.688 . . . . 0.0 111.401 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.04 59.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . -51.17 -21.89 6.2 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 124.788 1.185 . . . . 0.0 112.671 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -159.02 162.26 36.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 117.924 0.862 . . . . 0.0 110.493 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -157.41 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -151.32 161.9 41.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -142.8 89.73 7.95 Favored Pre-proline 0 CA--C 1.529 0.159 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.34 25.92 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.711 3.608 . . . . 0.0 112.376 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HB2' ' H ' ' A' ' 55' ' ' ARG . 34.2 ptt180 -32.47 -58.38 0.33 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.888 1.275 . . . . 0.0 112.466 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.447 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 3.7 m-20 -156.89 -178.53 7.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.55 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 10.4 ttp180 -139.66 15.29 2.52 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 110.42 172.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -134.7 -11.39 2.35 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.024 0.53 . . . . 0.0 111.311 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.6 p -138.64 -18.13 1.09 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.655 0.782 . . . . 0.0 111.224 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' H ' ' HB2' ' A' ' 48' ' ' ASP . 96.4 mttt 35.47 56.51 0.87 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 126.748 2.019 . . . . 0.0 113.284 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -147.83 -0.52 0.62 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -62.54 -46.54 87.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.887 1.221 . . . . 0.0 111.19 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' H ' ' HB2' ' A' ' 47' ' ' ARG . 4.7 ptm180 36.57 19.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.359 2.664 . . . . 0.0 116.498 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.22 -8.87 80.23 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.899 -0.501 . . . . 0.0 112.887 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -158.0 -179.39 8.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.715 0.758 . . . . 0.0 110.311 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.93 -177.29 5.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.922 0.889 . . . . 0.0 109.46 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -144.18 75.6 1.47 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.936 0.895 . . . . 0.0 109.143 -177.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 13.1 t -76.15 151.1 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -147.89 155.39 41.55 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-N 119.275 0.943 . . . . 0.0 113.391 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -128.82 159.88 34.34 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.408 1.083 . . . . 0.0 109.835 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.45 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 29.0 m-70 -124.04 -2.88 8.13 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -125.76 134.6 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.25 -26.57 67.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -170.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.35 -39.85 64.87 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.355 0.98 . . . . 0.0 110.162 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.44 -26.91 34.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.87 65.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.821 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.43 -36.08 76.31 Favored 'General case' 0 N--CA 1.457 -0.101 0 O-C-N 121.933 -0.479 . . . . 0.0 110.701 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -70.12 -38.01 75.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.881 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.23 71.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.464 -0.303 . . . . 0.0 111.403 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.404 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 23.7 ptt? -93.35 -25.66 17.61 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.292 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.34 -8.8 56.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.299 0.24 . . . . 0.0 111.299 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.19 -10.0 2.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.562 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 6.7 mmt -112.07 -28.04 8.15 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.399 0.999 . . . . 0.0 112.818 174.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.44 116.11 4.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 120.008 1.276 . . . . 0.0 110.213 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.82 3.39 62.33 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.218 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.41 -176.01 1.42 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.154 0.977 . . . . 0.0 110.209 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.21 118.39 17.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.11 -56.69 6.94 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -151.05 -0.56 0.37 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.26 -6.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.352 -0.693 . . . . 0.0 113.684 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -118.43 -172.31 2.25 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-N 118.192 0.996 . . . . 0.0 109.224 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -95.4 169.13 10.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.638 0.256 . . . . 0.0 110.833 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.02 157.03 29.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -136.84 143.92 43.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.2 p -162.19 126.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -164.56 167.85 18.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.64 143.45 57.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.96 177.61 2.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.739 0.415 . . . . 0.0 111.322 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -136.01 -8.59 2.07 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 112.293 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -134.22 165.4 25.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.728 0.642 . . . . 0.0 110.051 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.99 10.6 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.421 ' HA ' ' C5 ' ' B' ' 104' ' ' ' C' . 10.4 ptm180 -174.24 162.47 2.84 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.936 1.694 . . . . 0.0 106.455 174.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.554 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 44.5 Cg_endo -61.52 143.12 96.93 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 124.052 3.168 . . . . 0.0 110.969 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.26 -22.37 4.93 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.513 2.809 . . . . 0.0 114.176 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -157.56 18.15 0.27 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -6.25 3.07 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -135.22 9.72 3.49 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.319 0.509 . . . . 0.0 111.269 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 52.93 -172.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.324 1.45 . . . . 0.0 113.438 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.439 -1.267 . . . . 0.0 110.109 -178.651 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 O4'-C1'-N19 111.044 2.844 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.535 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 112.043 -2.304 . 0.034 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.554 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 N19-C1'-C2' 107.043 -3.973 . 0.199 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.55 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 O4'-C1'-N19 116.996 8.796 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 109.925 -3.716 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O4'-C1'-N19 113.406 5.206 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 tpp . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -144.1 11.39 1.56 Allowed 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.342 0.657 . . . . 0.0 111.526 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -134.1 176.19 8.81 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.976 0.911 . . . . 0.0 109.692 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.91 175.01 36.78 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -60.39 154.42 53.89 Favored Pre-proline 0 N--CA 1.448 -0.558 0 C-N-CA 123.996 0.918 . . . . 0.0 111.947 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -71.09 163.88 37.67 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 124.643 3.562 . . . . 0.0 109.793 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.44 154.3 69.18 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.699 2.266 . . . . 0.0 110.396 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.59 19.42 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 124.44 3.427 . . . . 0.0 112.551 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -134.68 20.12 3.57 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.591 0.632 . . . . 0.0 111.795 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.46 -20.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 O-C-N 121.756 -0.59 . . . . 0.0 110.448 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.16 1.01 12.17 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.783 0.833 . . . . 0.0 111.608 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.75 17.82 3.02 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.554 0.597 . . . . 0.0 111.652 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.1 mtm -143.72 174.51 10.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.784 0.833 . . . . 0.0 109.86 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -66.18 168.76 8.02 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -154.08 57.56 0.72 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.718 0.407 . . . . 0.0 110.652 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 21.6 tp -69.83 150.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 36.4 tttp -126.12 154.69 42.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.829 0.852 . . . . 0.0 109.945 174.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 71.6 t -136.57 136.55 48.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 124.306 1.042 . . . . 0.0 108.301 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.06 179.24 9.33 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t30 84.38 18.46 0.17 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.83 2.052 . . . . 0.0 114.075 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.3 169.36 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -81.24 169.81 16.86 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -71.18 8.17 1.06 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.827 0.451 . . . . 0.0 111.653 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -130.55 -7.87 4.13 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.039 0.936 . . . . 0.0 111.989 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -71.02 162.75 28.9 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.982 0.356 . . . . 0.0 110.142 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.77 156.32 62.73 Favored Pre-proline 0 N--CA 1.455 -0.192 0 C-N-CA 123.203 0.601 . . . . 0.0 109.454 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.56 -17.85 29.67 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 122.841 2.361 . . . . 0.0 112.149 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -76.11 -31.05 58.49 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -50.21 34.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.53 -31.85 73.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.311 0.382 . . . . 0.0 110.762 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.36 -48.01 83.27 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -81.28 -37.12 28.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.688 0.395 . . . . 0.0 111.061 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.09 -36.01 69.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 124.008 0.923 . . . . 0.0 111.419 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 32.4 m-85 -99.07 -11.71 21.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.85 -25.07 67.75 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.51 0.324 . . . . 0.0 111.534 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.12 -20.88 57.24 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.554 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 58.4 m-85 -77.15 -14.95 59.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.15 0.281 . . . . 0.0 110.826 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.1 -73.06 0.26 Allowed Glycine 0 C--N 1.341 0.849 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.483 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -150.21 101.68 3.02 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-O 122.167 0.984 . . . . 0.0 111.515 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.5 55.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.21 -17.63 4.15 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 124.544 1.069 . . . . 0.0 113.843 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -155.23 157.91 38.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.98 0.89 . . . . 0.0 109.76 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.39 131.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.51 156.53 43.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mt -145.5 94.76 5.1 Favored Pre-proline 0 C--O 1.231 0.124 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 24.7 Cg_exo -63.19 -22.23 72.64 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.471 3.447 . . . . 0.0 116.946 -173.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 32.07 -110.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.015 0.926 . . . . 0.0 109.223 -166.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 50' ' ' TYR . 17.0 m-20 -146.39 128.34 15.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 8.1 ptm180 -71.9 21.04 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 48' ' ' ASP . 8.9 m-85 -134.92 -7.02 2.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 111.348 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 p -140.62 -29.43 0.68 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.233 0.613 . . . . 0.0 110.436 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 48.54 33.48 4.12 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.056 1.743 . . . . 0.0 113.437 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -135.83 11.61 3.39 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -60.3 -30.47 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.715 0.689 . . . . 0.0 111.654 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 24.33 75.37 0.02 OUTLIER 'General case' 0 C--N 1.342 0.241 0 C-N-CA 126.719 2.008 . . . . 0.0 113.83 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.49 -1.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.473 -0.626 . . . . 0.0 113.551 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 23.0 p90 -157.87 179.5 9.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.391 1.095 . . . . 0.0 109.958 177.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.88 -176.16 5.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.408 0.623 . . . . 0.0 111.279 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -149.05 56.11 1.0 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.48 1.512 . . . . 0.0 108.306 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.88 144.64 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 18.5 ttp180 -144.71 154.92 43.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -172.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.09 164.02 21.8 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.648 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.95 8.94 5.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.8 131.78 37.91 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -63.77 -34.71 78.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -69.03 -38.88 79.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.582 0.628 . . . . 0.0 110.644 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -77.12 -27.5 54.04 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -35.76 51.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.453 0.301 . . . . 0.0 111.539 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -71.19 -33.07 69.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.23 -0.294 . . . . 0.0 110.482 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -71.56 -38.21 71.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.385 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.27 72.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 119.392 -0.337 . . . . 0.0 111.546 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -90.08 -28.42 19.02 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 118.589 0.632 . . . . 0.0 110.63 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.82 -8.56 44.64 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.883 -0.511 . . . . 0.0 111.294 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.47 -7.96 3.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.554 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 6.2 mmt -120.69 -24.98 5.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.81 0.732 . . . . 0.0 112.917 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.24 126.09 28.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 119.815 1.189 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.55 0.92 90.37 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 123.174 0.416 . . . . 0.0 112.324 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.71 -178.77 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.477 0.638 . . . . 0.0 110.449 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.23 143.4 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.324 0.583 . . . . 0.0 111.022 -174.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 82' ' ' GLY . 67.1 tp -149.81 139.39 21.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.9 t70 54.68 0.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.654 1.582 . . . . 0.0 113.192 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.91 -1.6 31.74 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 177.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -94.6 -158.41 0.63 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 117.72 0.76 . . . . 0.0 109.813 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -113.7 166.65 11.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.6 152.32 51.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 16.8 mmt180 -140.19 141.21 35.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.859 0.361 . . . . 0.0 111.231 -170.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -151.43 124.1 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.03 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -163.31 166.17 23.35 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 123.039 0.536 . . . . 0.0 109.845 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.79 146.15 54.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.55 0.34 . . . . 0.0 110.714 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.23 177.55 3.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.577 0.751 . . . . 0.0 112.704 -175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.09 175.3 9.7 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.726 1.21 . . . . 0.0 109.985 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 49.69 -159.84 0.06 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.806 0.842 . . . . 0.0 112.662 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.21 16.01 3.67 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 119.118 -0.823 . . . . 0.0 111.674 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 119.63 155.54 0.0 OUTLIER Pre-proline 0 C--N 1.343 0.31 0 C-N-CA 130.978 3.711 . . . . 0.0 109.315 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.557 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 86.3 Cg_exo -44.92 132.69 10.82 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.554 3.502 . . . . 0.0 113.087 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -81.43 -19.9 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.668 2.912 . . . . 0.0 113.039 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -159.03 10.9 0.14 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -72.97 -19.28 61.26 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.751 -0.593 . . . . 0.0 111.495 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -157.69 168.55 26.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -144.38 169.92 17.0 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 122.544 0.338 . . . . 0.0 111.24 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.321 -178.375 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.556 0 C1'-O4'-C4' 106.694 -3.229 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.559 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 111.579 -2.614 . 0.036 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.557 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 N19-C1'-C2' 107.461 -3.712 . 0.256 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.449 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 O4'-C1'-N19 115.106 6.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 0 C5'-C4'-O4' 112.581 2.415 . 0.132 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 O4'-C1'-N19 114.823 6.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -156.26 164.35 38.44 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.514 0.326 . . . . 0.0 110.266 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -145.26 179.51 7.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.214 0.606 . . . . 0.0 110.194 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.68 177.24 44.58 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -55.31 148.91 29.49 Favored Pre-proline 0 N--CA 1.448 -0.571 0 C-N-CA 123.739 0.815 . . . . 0.0 110.372 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 157.42 57.13 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 124.345 3.363 . . . . 0.0 111.213 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -53.73 157.95 9.15 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.936 3.091 . . . . 0.0 112.249 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.36 171.49 17.97 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.769 2.979 . . . . 0.0 111.036 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 56.08 17.62 2.77 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.018 1.327 . . . . 0.0 112.528 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.62 -13.36 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 122.059 -0.4 . . . . 0.0 111.254 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -72.49 -2.8 21.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.707 0.803 . . . . 0.0 111.452 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.35 36.03 1.3 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.638 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.56 172.79 11.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.827 0.813 . . . . 0.0 110.406 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.1 m -56.37 -34.12 66.35 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.836 0.855 . . . . 0.0 112.631 -172.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.7 m 42.26 43.07 2.8 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.39 1.076 . . . . 0.0 113.208 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 89' ' ' MET . 2.4 tm? -69.72 114.26 7.76 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 11.1 pttp -104.03 169.49 8.47 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 97.6 t -138.81 139.05 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.091 0.956 . . . . 0.0 109.786 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.68 -174.65 4.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.432 1.093 . . . . 0.0 112.176 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 77.79 -4.61 2.23 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 127.167 2.187 . . . . 0.0 114.422 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -54.97 168.24 0.32 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.068 0.849 . . . . 0.0 111.777 176.09 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.5 p -70.08 163.35 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.248 0.546 . . . . 0.0 111.984 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -74.18 7.15 2.92 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.821 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -118.74 -14.83 9.51 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.057 0.943 . . . . 0.0 111.526 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.0 m -70.04 169.07 14.14 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 72.5 m -141.71 158.71 62.17 Favored Pre-proline 0 C--N 1.331 -0.2 0 C-N-CA 122.632 0.373 . . . . 0.0 110.287 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 57.6 Cg_endo -69.67 -21.59 33.68 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.973 2.449 . . . . 0.0 112.5 -174.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.49 -30.42 53.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -48.27 62.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.57 -30.13 71.29 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.89 -43.89 97.86 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -84.85 -39.02 18.79 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 117.932 0.333 . . . . 0.0 110.875 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.25 -32.01 43.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.729 0.812 . . . . 0.0 111.128 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.464 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.1 m-85 -108.05 -10.35 15.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.957 0.344 . . . . 0.0 111.727 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.21 -26.22 65.61 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.357 -0.214 . . . . 0.0 111.084 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.51 -19.76 63.72 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.03 -0.419 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.551 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 55.7 m-85 -80.5 -8.86 59.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.136 0.574 . . . . 0.0 111.009 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.73 -84.79 0.15 Allowed Glycine 0 C--N 1.338 0.681 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -152.63 126.64 9.07 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -56.23 -20.49 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 119.407 -0.33 . . . . 0.0 111.81 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.64 -49.43 2.03 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 124.98 1.276 . . . . 0.0 111.981 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.69 163.13 29.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.029 0.932 . . . . 0.0 108.695 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.06 132.45 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -152.53 172.61 16.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.715 0.406 . . . . 0.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 47' ' ' ARG . 22.1 mt -140.54 101.8 6.63 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HB3' " H5'" ' B' ' 104' ' ' ' C' . 78.3 Cg_exo -54.31 12.69 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.378 1 C-N-CA 126.98 5.12 . . . . 0.0 116.408 177.134 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 45' ' ' ILE . 63.4 ttt180 -50.51 139.99 14.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.791 0.836 . . . . 0.0 109.61 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.49 136.4 32.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.0 0.428 . . . . 0.0 111.307 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 65.4 ttt-85 -77.49 0.7 21.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.367 1.067 . . . . 0.0 112.756 -173.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.25 -12.91 0.41 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -129.87 -13.26 4.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.112 0.415 . . . . 0.0 111.27 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.1 23.24 1.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.83 -0.06 41.69 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m -117.53 33.58 5.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -68.56 0.96 3.5 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.6 0.36 . . . . 0.0 111.17 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.51 -8.95 34.91 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.062 0.839 . . . . 0.0 114.148 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.435 ' CD1' " H2'" ' B' ' 102' ' ' ' U' . 11.4 p90 -158.73 -176.83 6.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 1.212 . . . . 0.0 110.682 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.85 -176.9 5.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.519 0.728 . . . . 0.0 110.446 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.6 OUTLIER -145.33 79.46 1.58 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.214 0.606 . . . . 0.0 110.371 -176.421 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 99.4 t -76.35 159.97 5.09 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 169.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -157.09 103.41 2.02 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.611 1.096 . . . . 0.0 112.477 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -79.28 164.86 23.79 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.978 0.511 . . . . 0.0 109.919 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -131.22 10.03 4.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -133.68 129.59 37.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -61.38 -32.44 72.37 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -73.39 -39.39 65.14 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.836 0.744 . . . . 0.0 110.631 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.12 -29.71 54.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.05 71.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.206 0.602 . . . . 0.0 111.59 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.85 -34.37 73.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.741 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.39 -37.07 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.581 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.41 73.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.8 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -89.7 -29.06 19.02 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.497 0.589 . . . . 0.0 110.735 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.41 -9.87 51.37 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.875 0.307 . . . . 0.0 111.103 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.35 -7.11 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.551 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 5.0 mmt -122.97 -24.82 4.69 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 175.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.46 125.22 25.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 120.112 1.324 . . . . 0.0 109.859 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.77 0.79 88.69 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.226 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.51 -173.76 0.78 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.448 0.624 . . . . 0.0 111.071 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.0 145.65 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.404 0.682 . . . . 0.0 109.406 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.52 -52.52 2.81 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.183 0.593 . . . . 0.0 109.801 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.57 -5.59 0.93 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.82 -14.42 0.34 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.769 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -92.62 -157.44 0.53 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 117.522 0.661 . . . . 0.0 109.712 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -113.46 168.74 9.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.51 159.22 41.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -143.57 139.52 29.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.413 0.285 . . . . 0.0 110.598 -173.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.0 t -150.65 122.14 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -166.52 162.56 16.82 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.695 0.398 . . . . 0.0 110.708 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -62.88 151.66 38.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.932 0.493 . . . . 0.0 111.491 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.25 177.47 3.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -124.23 -12.22 7.39 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.75 0.82 . . . . 0.0 111.554 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -152.27 172.18 16.83 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.497 0.719 . . . . 0.0 109.387 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.87 10.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -153.57 152.06 26.56 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.966 1.707 . . . . 0.0 107.729 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 19.2 Cg_endo -56.01 132.49 52.29 Favored 'Trans proline' 0 N--CA 1.455 -0.774 1 C-N-CA 125.384 4.056 . . . . 0.0 110.486 176.321 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.37 -30.59 43.85 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.753 2.969 . . . . 0.0 113.307 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -162.75 130.76 3.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.826 0.45 . . . . 0.0 110.251 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -167.57 -20.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.413 0.685 . . . . 0.0 111.087 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -153.44 34.07 0.46 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.022 0.929 . . . . 0.0 108.995 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -133.02 175.86 9.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.042 0.537 . . . . 0.0 111.238 -170.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.406 -1.283 . . . . 0.0 110.254 -179.138 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . 0.435 " H2'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.411 -3.505 0 C3'-C2'-C1' 103.868 2.632 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.473 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-C3' 113.013 -1.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.496 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 N19-C1'-C2' 105.773 -4.767 . 0.021 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.41 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.283 2 O4'-C1'-N19 117.024 8.824 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C3'-C2'-C1' 104.483 3.314 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 1 O4'-C1'-N19 114.663 6.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.533 0.206 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -142.65 5.8 1.6 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.733 0.413 . . . . 0.0 111.066 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -143.68 176.35 9.29 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.595 0.758 . . . . 0.0 109.63 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 169.44 42.56 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptm85 -53.07 151.23 9.26 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 123.892 0.877 . . . . 0.0 111.091 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.6 152.37 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 124.274 3.316 . . . . 0.0 110.074 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.93 161.94 42.3 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.61 2.873 . . . . 0.0 111.302 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -81.79 178.53 6.43 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.148 3.232 . . . . 0.0 110.975 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 58.9 17.98 5.78 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.032 1.333 . . . . 0.0 113.317 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.48 -19.36 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 122.029 -0.419 . . . . 0.0 110.729 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.26 -0.62 6.4 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.368 0.667 . . . . 0.0 111.427 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.83 22.27 3.14 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.08 0.848 . . . . 0.0 111.413 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.0 mtm -140.85 170.48 15.67 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.667 0.787 . . . . 0.0 109.969 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -64.62 163.61 13.41 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.952 0.501 . . . . 0.0 109.885 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 m -149.93 56.52 0.96 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.782 0.433 . . . . 0.0 110.385 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 24.6 tp -70.0 147.37 50.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 28.8 tttp -126.39 156.29 40.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.665 0.603 . . . . 0.0 110.406 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 65.8 t -138.06 139.1 42.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 124.619 1.168 . . . . 0.0 109.145 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -158.12 172.55 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 112.085 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 103.97 20.05 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.41 2.684 . . . . 0.0 111.741 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 173.38 0.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -89.34 168.12 12.49 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 123.079 0.551 . . . . 0.0 110.973 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 6.94 0.85 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 111.666 176.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -128.71 -9.05 5.03 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.983 0.913 . . . . 0.0 111.816 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -67.51 163.32 21.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.672 0.389 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 54.6 m -144.68 160.87 45.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 C-N-CA 123.953 0.901 . . . . 0.0 109.106 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 55.9 Cg_endo -69.14 -20.15 38.16 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.196 1.931 . . . . 0.0 111.994 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.73 -32.74 35.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.75 0.704 . . . . 0.0 111.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -47.08 68.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.16 -23.97 66.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.724 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -65.42 -41.23 93.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.055 -0.403 . . . . 0.0 110.104 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -84.75 -39.96 17.85 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 122.354 0.262 . . . . 0.0 110.747 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.03 -35.32 51.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 123.142 0.577 . . . . 0.0 111.41 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -100.11 -11.5 20.45 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.66 -29.0 67.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.75 -21.46 60.19 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.523 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 71.7 m-85 -83.14 -17.32 43.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.29 0.236 . . . . 0.0 111.331 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.25 -159.01 27.04 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -61.19 87.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.398 1.479 . . . . 0.0 112.541 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.54 61.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.11 -14.22 31.26 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.037 1.303 . . . . 0.0 113.427 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 2.8 t0 -151.21 162.94 39.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.765 0.782 . . . . 0.0 109.208 172.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 7.1 p -158.18 29.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -169.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.37 157.49 29.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -167.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.61 92.24 6.57 Favored Pre-proline 0 C--N 1.333 -0.11 0 C-N-CA 126.817 2.047 . . . . 0.0 106.155 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' CB ' " H5'" ' B' ' 104' ' ' ' C' . 26.2 Cg_exo -62.59 21.99 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 1 C-N-CA 125.37 4.047 . . . . 0.0 115.754 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -49.53 145.56 4.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.582 1.083 . . . . 0.0 109.269 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' TYR . 4.3 m-20 -40.65 121.98 1.57 Allowed 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 111.988 -169.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.593 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 7.9 ptm180 -70.34 12.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' ASP . 3.9 m-85 -137.25 -19.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.7 p -141.47 -2.41 1.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 37.56 55.73 1.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.364 1.466 . . . . 0.0 113.33 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -119.73 19.82 12.43 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' GLY . 67.2 m -128.65 32.68 4.77 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.897 0.479 . . . . 0.0 111.023 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.14 -4.72 0.85 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.77 1.228 . . . . 0.0 111.926 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.34 3.4 2.49 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.033 1.302 . . . . 0.0 114.757 -175.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -153.8 172.95 16.54 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.175 1.488 . . . . 0.0 110.588 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.08 175.11 10.11 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.351 0.66 . . . . 0.0 111.424 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.6 62.04 0.81 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.309 1.443 . . . . 0.0 108.087 -177.516 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 13.4 t -75.85 144.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 22.3 ttp180 -144.94 157.92 43.98 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -126.94 159.07 35.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.137 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -126.89 14.37 7.41 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.132 0.573 . . . . 0.0 112.278 -174.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.93 136.61 35.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -63.74 -29.49 70.7 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.92 -41.53 61.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.741 0.7 . . . . 0.0 110.099 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -73.14 -29.48 62.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.49 35.67 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.763 -0.586 . . . . 0.0 110.424 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.76 -38.6 64.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.493 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.14 72.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.534 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.35 -29.43 20.3 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.643 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.98 -8.26 47.52 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.236 -0.29 . . . . 0.0 111.248 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.34 -7.17 2.95 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.523 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 3.9 mmt -123.92 -16.53 6.57 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.49 58.71 1.04 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.722 1.147 . . . . 0.0 111.639 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.48 -4.7 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.904 0.764 . . . . 0.0 112.182 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -177.23 1.02 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.703 0.801 . . . . 0.0 111.972 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.8 t -131.88 135.77 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.807 0.843 . . . . 0.0 108.963 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tt -92.81 -50.74 5.42 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.643 0.377 . . . . 0.0 110.423 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.85 -1.78 0.57 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.967 0.507 . . . . 0.0 112.095 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.09 -6.26 0.16 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 118.75 0.705 . . . . 0.0 113.727 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -115.77 -165.93 1.09 Allowed 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.283 1.042 . . . . 0.0 109.19 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.85 168.0 9.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -173.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.5 mt -129.5 157.85 40.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -135.38 136.51 41.51 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.5 t -148.18 119.79 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -160.61 168.38 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.041 0.536 . . . . 0.0 109.818 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.98 149.4 49.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.103 0.478 . . . . 0.0 111.418 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.32 -176.8 5.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.523 0.729 . . . . 0.0 112.395 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' HG2' ' C2 ' ' B' ' 103' ' ' ' C' . 39.2 ptt180 -139.85 177.33 8.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.02 0.928 . . . . 0.0 110.491 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 50.87 -163.05 0.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.973 0.909 . . . . 0.0 112.178 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.67 -33.76 0.37 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 146.1 11.89 Favored Pre-proline 0 N--CA 1.44 -0.961 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 169.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.549 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 30.6 Cg_endo -58.0 117.18 3.85 Favored 'Trans proline' 0 N--CA 1.453 -0.856 1 C-N-CA 125.743 4.295 . . . . 0.0 111.097 174.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.61 -1.16 11.36 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 124.149 3.233 . . . . 0.0 112.066 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -120.88 25.01 9.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.8 m -142.86 164.02 31.23 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.758 0.423 . . . . 0.0 111.003 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 48.39 38.64 10.99 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 113.063 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.19 -12.31 49.94 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.747 -0.596 . . . . 0.0 110.921 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.479 179.42 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 1 O4'-C1'-N19 113.455 5.255 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.449 ' C2 ' ' HG2' ' A' ' 91' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C5'-C4'-C3' 111.935 -2.377 . 0.405 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.549 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.389 1 N19-C1'-C2' 106.326 -4.421 . 0.226 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.593 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.781 2 O4'-C1'-N19 115.203 7.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C3'-C2'-C1' 104.939 3.822 . 0.145 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 1 O4'-C1'-N19 114.154 5.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.651 -0.129 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -138.65 21.9 2.7 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.004 0.522 . . . . 0.0 111.237 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.41 171.39 14.55 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.051 0.54 . . . . 0.0 110.149 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.89 170.09 39.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -64.94 150.05 95.67 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.577 0.751 . . . . 0.0 111.245 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.16 160.19 6.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.926 3.751 . . . . 0.0 112.323 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.88 158.32 57.19 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.546 2.164 . . . . 0.0 110.193 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.55 20.64 0.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.952 3.768 . . . . 0.0 113.037 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.26 11.42 3.54 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.832 0.742 . . . . 0.0 111.972 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.92 -11.46 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.859 -0.525 . . . . 0.0 111.521 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.58 -0.49 26.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.965 0.506 . . . . 0.0 111.459 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 30.56 0.44 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -143.4 162.92 34.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.227 0.611 . . . . 0.0 109.927 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -56.27 152.25 11.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.076 0.55 . . . . 0.0 110.779 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 m -149.0 53.23 0.97 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.491 0.716 . . . . 0.0 110.058 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.8 tm? -68.77 98.59 0.93 Allowed 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.553 0.741 . . . . 0.0 109.895 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 40.4 tttp -81.07 155.24 26.41 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.497 0.719 . . . . 0.0 111.411 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 71.9 t -135.48 136.03 51.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.599 1.16 . . . . 0.0 108.738 176.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -157.32 -178.31 7.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 112.721 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t30 82.67 1.17 1.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.35 2.26 . . . . 0.0 114.456 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' H ' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.47 173.53 0.26 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.749 0.82 . . . . 0.0 112.952 176.268 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 p -71.28 167.97 18.32 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 121.785 0.803 . . . . 0.0 112.586 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -76.33 11.19 1.64 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.138 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -127.6 -10.51 5.62 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.839 0.856 . . . . 0.0 111.55 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -69.05 164.7 21.84 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 64.4 m -138.39 163.26 48.48 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 66.6 Cg_endo -71.44 -21.19 26.5 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 121.857 1.705 . . . . 0.0 110.943 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.25 -33.33 63.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.316 -0.24 . . . . 0.0 110.947 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -38.02 61.93 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -71.82 -39.76 69.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.38 -44.11 68.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -71.1 -55.71 7.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 p -66.88 -25.97 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -173.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 43.5 m-85 -89.5 -14.86 34.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.991 0.36 . . . . 0.0 111.025 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -59.22 -22.14 60.61 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -85.3 -20.85 29.39 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.844 -0.535 . . . . 0.0 112.083 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -82.22 -18.79 41.34 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 122.292 0.237 . . . . 0.0 110.548 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.23 -157.02 27.26 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-O 122.082 0.823 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -67.11 86.87 0.15 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 112.044 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.87 53.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 167.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.99 -13.29 13.54 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.04 1.305 . . . . 0.0 113.753 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -154.89 154.69 33.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.407 1.104 . . . . 0.0 109.261 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.01 132.43 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -146.67 161.2 41.07 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mt -145.77 90.98 5.75 Favored Pre-proline 0 C--O 1.232 0.157 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.0 -28.11 85.79 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.632 2.888 . . . . 0.0 114.414 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 30.6 ptt180 21.91 -101.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.114 1.766 . . . . 0.0 110.985 -172.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.555 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 14.2 m-20 -143.1 127.01 17.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 169.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 11.7 ttp180 -70.32 8.36 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -172.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -143.66 -14.06 0.66 Allowed 'General case' 0 C--N 1.339 0.128 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.9 p -138.76 -5.27 1.53 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 38.37 28.23 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.471 1.908 . . . . 0.0 115.296 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.43 12.01 11.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 56' ' ' GLY . 42.9 m -132.68 37.3 3.48 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.211 0.459 . . . . 0.0 112.006 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -65.48 8.24 0.18 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.898 0.879 . . . . 0.0 112.606 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -72.14 8.38 6.66 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.297 0.951 . . . . 0.0 113.684 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.421 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 11.3 p90 -157.44 177.22 11.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.449 1.124 . . . . 0.0 110.431 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.1 -173.47 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.051 0.54 . . . . 0.0 110.895 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.58 58.46 1.06 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.447 1.499 . . . . 0.0 107.634 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 15.4 t -66.72 148.73 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 174.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 16.1 ttp180 -143.68 143.78 31.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 119.057 0.844 . . . . 0.0 113.076 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -115.79 156.94 25.14 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.633 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -122.52 13.14 10.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.563 0.745 . . . . 0.0 112.462 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -140.74 136.02 32.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.86 -23.0 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.14 -40.54 67.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.276 0.943 . . . . 0.0 109.94 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.36 -30.71 60.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.1 74.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.724 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.07 -33.26 71.68 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -73.22 -39.52 65.45 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.54 0.609 . . . . 0.0 110.689 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.76 72.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.956 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -87.99 -28.41 21.45 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.639 0.654 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.39 -9.18 52.39 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.377 -0.202 . . . . 0.0 111.254 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.3 -4.49 3.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.4 mmt -124.35 -22.89 4.6 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.086 0.857 . . . . 0.0 113.213 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.57 125.71 27.04 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.942 1.246 . . . . 0.0 109.818 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.8 3.45 83.93 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.817 -0.435 . . . . 0.0 112.118 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 -177.08 1.3 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.684 0.742 . . . . 0.0 111.522 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.1 t -141.1 148.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 108.997 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.71 -7.39 1.27 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -155.85 7.97 0.24 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.341 0.518 . . . . 0.0 112.211 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.9 36.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -112.67 -149.98 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.552 0.741 . . . . 0.0 109.034 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -124.49 164.94 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.401 0.68 . . . . 0.0 109.479 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.7 mt -136.05 156.27 48.97 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -141.83 142.67 33.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.065 0.459 . . . . 0.0 111.227 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.2 t -152.82 123.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.598 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -167.55 162.77 14.51 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 122.598 0.359 . . . . 0.0 110.111 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.0 151.81 41.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.2 172.9 2.77 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.65 0.38 . . . . 0.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -135.95 -5.77 2.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -132.34 174.71 9.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.537 0.735 . . . . 0.0 110.445 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.39 11.51 26.14 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.744 -1.031 . . . . 0.0 111.981 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 118.3 154.17 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.278 0 C-N-CA 130.511 3.524 . . . . 0.0 109.696 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.46 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 50.2 Cg_exo -47.61 128.74 15.9 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.47 3.447 . . . . 0.0 111.642 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -79.13 -11.7 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.347 2.698 . . . . 0.0 111.973 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -157.28 31.35 0.29 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.826 0.45 . . . . 0.0 110.696 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.9 p 38.55 -112.47 0.11 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.494 1.117 . . . . 0.0 111.57 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -150.67 11.31 0.67 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.613 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -152.3 171.64 17.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.203 0.601 . . . . 0.0 110.661 -175.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.087 -179.782 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . 0.421 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 O4'-C1'-N19 114.665 6.465 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.481 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C5'-C4'-C3' 112.031 -2.312 . 0.546 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.46 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 N19-C1'-C2' 106.18 -4.512 . 0.28 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.421 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.522 2 O4'-C1'-N19 117.787 9.587 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 104.734 3.593 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 113.494 5.294 . 0.022 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.577 0.227 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -159.52 -175.11 5.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.5 171.56 14.08 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.821 0.82 . . . . 0.0 111.923 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 19.07 0.37 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -152.02 131.46 6.8 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.9 120.17 5.68 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.445 2.764 . . . . 0.0 112.12 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.1 169.09 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.865 3.043 . . . . 0.0 109.87 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.52 156.85 60.5 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.234 2.623 . . . . 0.0 109.549 173.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -154.96 11.48 0.36 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.62 -2.89 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.0 -9.58 58.26 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.578 -0.701 . . . . 0.0 112.022 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.62 28.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.555 -0.58 . . . . 0.0 111.662 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -138.09 -175.48 4.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.162 0.585 . . . . 0.0 110.688 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -123.29 -173.07 2.64 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.056 0.942 . . . . 0.0 108.696 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -149.24 126.58 11.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.922 -0.487 . . . . 0.0 110.805 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.25 111.9 15.78 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.171 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 50.5 tttp -77.77 142.52 38.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 123.82 0.7 . . . . 0.0 111.291 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 50.3 t -128.14 134.4 65.12 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -152.15 -172.79 4.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.577 1.151 . . . . 0.0 112.3 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.49 89.85 0.07 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 112.499 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' CD2' HD13 ' A' ' 30' ' ' LEU . 1.8 pp -139.4 171.85 13.66 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.932 0.493 . . . . 0.0 112.002 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.439 ' C ' ' H ' ' A' ' 24' ' ' ARG . 79.0 p -67.02 164.38 17.9 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 121.188 0.518 . . . . 0.0 111.572 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.48 12.14 0.38 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 0.0 111.295 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 22' ' ' THR . 31.5 mmm180 -128.13 -16.73 4.47 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.253 0.621 . . . . 0.0 112.311 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.7 m -65.16 160.72 20.64 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.571 0.623 . . . . 0.0 109.59 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.435 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 11.7 p -141.98 167.49 16.57 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.609 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 59.0 Cg_endo -68.79 -19.27 41.23 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.386 2.058 . . . . 0.0 111.6 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.17 -32.17 44.14 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -52.7 39.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 21' ' ' LEU . 60.2 mt -61.83 -35.04 77.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -57.96 -42.95 86.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -86.07 -37.43 18.87 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 122.985 0.514 . . . . 0.0 111.668 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.9 -33.86 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 110.828 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 41.3 m-85 -106.43 -11.13 16.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.569 0.348 . . . . 0.0 111.864 -174.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -69.07 -20.85 64.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.231 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.06 -18.97 62.54 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 122.062 -0.399 . . . . 0.0 111.746 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 62.5 m-85 -86.41 -16.87 35.9 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.702 0.801 . . . . 0.0 110.97 178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.73 -172.58 23.56 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -66.99 113.02 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.25 -6.47 3.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.439 ' CA ' ' CD2' ' A' ' 63' ' ' HIS . . . 69.49 -60.96 0.64 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 125.814 1.674 . . . . 0.0 113.313 174.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -152.45 169.84 21.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 109.495 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.0 t -143.91 137.25 24.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.453 ' CD2' " H1'" ' B' ' 104' ' ' ' C' . 40.3 t80 -151.62 163.16 39.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.17 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 47' ' ' ARG . 56.2 mt -144.33 100.43 4.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 176.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -54.65 20.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 1 C-N-CA 126.923 5.082 . . . . 0.0 116.877 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 45' ' ' ILE . 52.0 ttp180 -47.1 122.72 4.68 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.68 131.95 25.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.113 0.482 . . . . 0.0 111.125 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 50.0 ttt-85 -67.07 -4.92 11.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.802 1.241 . . . . 0.0 113.692 -171.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -144.0 -11.1 0.66 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -135.52 -4.0 2.33 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 118.422 0.555 . . . . 0.0 111.814 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 46.88 19.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.612 1.565 . . . . 0.0 114.829 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 15.58 0.1 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -134.58 17.91 3.61 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.488 0.585 . . . . 0.0 111.297 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -11.52 27.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.981 0.913 . . . . 0.0 111.937 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.97 4.23 58.48 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.161 -0.8 . . . . 0.0 114.373 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -154.74 -175.13 5.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 1.442 . . . . 0.0 110.974 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.2 -176.72 5.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.247 0.546 . . . . 0.0 111.882 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.47 71.51 0.94 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 109.235 -178.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 1.3 m -69.32 163.05 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -147.57 84.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.858 0.754 . . . . 0.0 112.689 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.75 148.13 47.67 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' CD2' ' CA ' ' A' ' 41' ' ' GLY . 53.3 m-70 -104.77 -8.66 18.64 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.923 0.765 . . . . 0.0 112.258 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -127.45 132.01 50.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.431 0.634 . . . . 0.0 109.774 -175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -67.89 -27.14 66.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.569 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -71.18 -43.11 68.1 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 118.618 0.645 . . . . 0.0 110.186 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -71.85 -28.46 63.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.27 -40.7 43.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.52 -32.19 71.97 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.832 -0.542 . . . . 0.0 110.857 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -73.44 -39.26 65.13 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.377 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.291 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -88.57 -28.17 20.9 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.515 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.75 -10.0 59.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.097 0.159 . . . . 0.0 111.371 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.29 -6.7 4.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.555 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 4.9 mmt -119.95 -23.35 6.42 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.01 122.19 17.21 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 120.177 1.353 . . . . 0.0 110.21 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.34 3.09 81.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.226 0.441 . . . . 0.0 112.112 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.32 -173.47 1.71 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.502 0.651 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.8 t -137.65 147.58 26.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.793 0.837 . . . . 0.0 109.993 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 82' ' ' GLY . 19.2 tp -148.37 119.76 7.89 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.348 1.059 . . . . 0.0 108.285 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t70 62.7 -11.26 0.08 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.855 0.862 . . . . 0.0 112.906 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 131.84 -3.56 5.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 118.476 0.58 . . . . 0.0 111.975 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -74.93 -163.75 0.24 Allowed 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 124.46 1.104 . . . . 0.0 111.743 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.94 158.08 29.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.7 mt -132.52 150.4 52.16 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 27.1 mmt180 -142.85 135.13 27.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.175 0.59 . . . . 0.0 110.215 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.1 t -151.77 124.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 123.848 0.859 . . . . 0.0 108.741 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -163.02 165.15 25.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.37 145.98 52.5 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.49 0.316 . . . . 0.0 110.315 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.94 9.85 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 111.371 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -146.11 -175.57 4.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.374 0.669 . . . . 0.0 110.94 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 56.26 -169.62 0.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.689 1.195 . . . . 0.0 112.91 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.92 43.16 1.3 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.894 -1.283 . . . . 0.0 109.894 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 67.03 151.85 0.12 Allowed Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.523 1.929 . . . . 0.0 112.486 -174.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.548 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 50.0 Cg_exo -49.23 120.55 5.75 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 125.3 4.0 . . . . 0.0 112.565 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -85.0 -15.73 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.452 2.768 . . . . 0.0 113.128 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -155.27 15.89 0.4 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.4 m -79.37 -4.46 51.06 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -153.69 6.53 0.34 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -6.91 34.94 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.124 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 2 O4'-C1'-N19 114.297 6.097 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C3'-C2'-C1' 103.91 2.677 . 0.164 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.548 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 C5'-C4'-C3' 110.053 -3.631 . 0.455 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.535 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.804 5.604 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 N19-C1'-C2' 107.717 -3.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 1 O4'-C1'-N19 113.515 5.315 . 0.431 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.407 0.146 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -142.92 9.96 1.75 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.214 0.605 . . . . 0.0 111.544 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 53.96 -173.87 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.579 1.152 . . . . 0.0 112.939 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.64 169.8 42.81 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -56.52 152.51 24.64 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 123.66 0.784 . . . . 0.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.19 159.69 52.21 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.403 3.402 . . . . 0.0 110.466 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.06 153.16 12.91 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.654 2.903 . . . . 0.0 112.488 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.25 9.71 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 124.237 3.292 . . . . 0.0 112.193 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' A' ' 11' ' ' GLU . 27.1 t0 -139.27 24.22 2.51 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.773 -0.579 . . . . 0.0 111.527 -173.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.0 12.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.164 0.585 . . . . 0.0 112.057 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 9' ' ' ASP . 37.1 mt-10 -124.68 11.21 8.47 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.783 0.833 . . . . 0.0 109.793 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.32 17.9 2.09 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.075 0.845 . . . . 0.0 111.509 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.3 mtm -140.34 172.6 12.5 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.713 0.805 . . . . 0.0 110.014 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -63.52 159.25 19.03 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -150.76 125.75 9.84 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 98.17 5.01 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.175 0.297 . . . . 0.0 110.917 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 51.0 tttp -66.37 148.98 51.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.851 0.86 . . . . 0.0 111.031 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.5 t -133.66 131.87 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.89 -169.28 3.29 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.456 1.102 . . . . 0.0 111.101 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 53.7 98.34 0.01 OUTLIER 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.383 1.473 . . . . 0.0 111.975 -170.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -146.22 175.25 10.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.461 0.704 . . . . 0.0 110.96 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -83.28 168.91 16.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.404 0.621 . . . . 0.0 111.538 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.29 8.22 1.08 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.26 0.624 . . . . 0.0 111.229 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.62 -8.88 5.64 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 111.925 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -68.37 161.83 26.63 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -142.78 161.02 51.28 Favored Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 122.671 0.388 . . . . 0.0 110.098 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.39 -21.11 35.69 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.786 1.657 . . . . 0.0 111.376 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.32 -36.28 68.84 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.943 0.338 . . . . 0.0 110.562 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -52.49 42.89 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 mt -58.24 -30.09 66.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.536 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.26 -47.03 86.16 Favored 'General case' 0 C--O 1.225 -0.229 0 O-C-N 122.052 -0.405 . . . . 0.0 110.147 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.663 0.665 . . . . 0.0 112.401 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 30' ' ' LEU . 14.9 m -63.76 -24.44 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.646 0.778 . . . . 0.0 111.526 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -102.86 -16.89 15.76 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.85 -24.79 67.88 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.271 0.941 . . . . 0.0 111.292 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.25 -19.7 64.75 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.525 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 52.2 m-85 -80.69 -11.72 59.58 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 122.975 0.51 . . . . 0.0 111.135 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.11 -82.3 0.15 Allowed Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -159.05 123.99 4.15 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 -21.45 15.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.677 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.73 -49.65 1.38 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.993 1.282 . . . . 0.0 112.103 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -155.46 158.98 39.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.724 1.21 . . . . 0.0 107.974 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.83 116.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -143.88 159.01 43.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -144.21 94.37 5.77 Favored Pre-proline 0 CA--C 1.53 0.208 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 174.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -79.79 18.19 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 124.636 3.558 . . . . 0.0 113.248 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 19.7 ptt180 -31.06 -66.51 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.354 1.462 . . . . 0.0 113.508 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.0 t70 -160.86 128.48 4.32 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 169.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 4.5 ptm180 -74.65 9.17 1.92 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -173.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -138.05 -22.77 1.05 Allowed 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.9 0.773 . . . . 0.0 112.864 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -133.54 -12.31 2.7 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -174.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 43.15 39.72 2.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.082 1.353 . . . . 0.0 114.165 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -89.01 -23.36 22.63 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 56' ' ' GLY . 29.6 m -82.26 40.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 111.991 -175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -58.95 0.18 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.355 1.462 . . . . 0.0 113.365 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -69.09 -1.81 28.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.26 -0.9 . . . . 0.0 114.858 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -154.07 -176.32 5.8 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.301 1.551 . . . . 0.0 112.322 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.69 -178.65 7.0 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.632 0.773 . . . . 0.0 111.171 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.442 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.8 OUTLIER -153.66 63.37 0.73 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.294 1.438 . . . . 0.0 109.06 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 17.1 t -69.42 150.04 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 169.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -145.5 104.17 3.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 119.838 1.199 . . . . 0.0 111.931 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -72.98 164.25 26.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -128.93 5.58 5.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -132.39 131.36 41.75 Favored 'General case' 0 C--N 1.339 0.128 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.11 -30.19 71.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.68 -43.34 66.18 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.763 0.71 . . . . 0.0 110.158 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -77.0 -24.76 52.18 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.75 39.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.342 0.257 . . . . 0.0 111.502 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.67 -32.01 71.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.431 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.78 -38.8 64.54 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.933 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.23 74.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 122.404 -0.185 . . . . 0.0 111.11 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -87.84 -29.08 21.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.06 -10.25 58.08 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.221 0.209 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.46 -7.55 4.69 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.525 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 4.8 mmt -119.65 -24.01 6.37 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.59 125.42 26.11 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 119.909 1.231 . . . . 0.0 109.746 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.78 1.62 84.29 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.508 -0.607 . . . . 0.0 112.532 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.24 1.05 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 117.717 0.758 . . . . 0.0 111.257 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.52 145.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 123.618 0.767 . . . . 0.0 109.04 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.95 -57.42 2.19 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 122.927 0.491 . . . . 0.0 110.83 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -131.54 -4.86 3.72 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -15.26 0.9 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -91.43 -158.15 0.55 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 117.572 0.686 . . . . 0.0 109.681 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -113.77 166.73 11.27 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.0 mt -131.72 155.49 47.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -140.95 139.62 34.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.024 0.44 . . . . 0.0 111.157 -175.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -152.11 124.67 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.231 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -161.92 166.49 26.1 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 117.745 0.248 . . . . 0.0 110.895 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.09 147.8 51.34 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.26 0.224 . . . . 0.0 110.588 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.61 176.64 7.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.253 0.221 . . . . 0.0 110.726 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -132.66 -7.59 3.21 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -134.37 174.43 10.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.447 0.699 . . . . 0.0 109.875 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.19 -44.69 2.33 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -175.1 153.26 1.55 Allowed Pre-proline 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.634 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.598 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 33.5 Cg_endo -60.05 148.34 89.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 1 C-N-CA 125.495 4.13 . . . . 0.0 112.285 178.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.97 -9.94 16.72 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 124.275 3.317 . . . . 0.0 112.254 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.61 158.98 40.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.229 0.612 . . . . 0.0 109.697 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.407 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 14.2 m -83.05 34.52 0.46 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 56.68 32.46 21.14 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 98' ' ' SER . 44.1 m80 -63.54 -9.94 15.64 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.162 -0.336 . . . . 0.0 111.486 176.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.125 -1.417 . . . . 0.0 110.815 178.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 113.806 5.606 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C5'-C4'-C3' 112.228 -2.182 . 0.014 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.598 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 N19-C1'-C2' 106.714 -4.179 . 0.332 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.539 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 113.204 5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C3'-C2'-C1' 104.337 3.152 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 1 O4'-C1'-N19 114.347 6.147 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -155.97 168.4 27.37 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.995 0.518 . . . . 0.0 110.008 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -140.21 175.72 9.36 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 175.09 36.86 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -56.54 153.99 18.82 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.093 0.957 . . . . 0.0 112.451 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.8 157.8 5.22 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.749 3.633 . . . . 0.0 112.014 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.94 160.54 4.05 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.164 3.243 . . . . 0.0 112.124 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.75 167.29 26.97 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.008 2.472 . . . . 0.0 110.067 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 54.82 21.1 3.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.558 1.143 . . . . 0.0 112.362 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.6 -19.32 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.748 0.308 . . . . 0.0 111.439 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.97 1.61 8.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 0.0 111.238 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.89 22.01 3.49 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.04 0.828 . . . . 0.0 111.956 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mtm -137.9 165.22 27.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.202 0.601 . . . . 0.0 110.359 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 t -75.68 175.61 8.47 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.45 132.51 17.25 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.029 0.931 . . . . 0.0 108.699 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 10.7 tp -130.12 95.96 4.06 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.932 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 48.4 tttp -66.52 150.65 48.65 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.791 1.236 . . . . 0.0 111.349 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 95.1 t -135.47 138.21 48.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.55 1.14 . . . . 0.0 108.69 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.95 -178.83 7.51 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.551 0.74 . . . . 0.0 112.715 -173.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 80.82 13.6 0.75 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.386 1.874 . . . . 0.0 114.549 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' H ' HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -59.06 176.7 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.107 0.867 . . . . 0.0 112.35 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 p -82.24 172.06 13.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.288 0.566 . . . . 0.0 111.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -79.73 9.83 4.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.513 0.725 . . . . 0.0 110.699 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -126.02 -16.74 5.5 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.69 0.796 . . . . 0.0 112.046 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.1 m -78.27 164.7 24.65 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -137.22 159.92 67.8 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -65.59 -17.22 56.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.62 2.213 . . . . 0.0 111.944 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.01 -32.68 45.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -47.86 66.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.9 -29.39 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.49 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 tpt85 -63.33 -41.6 98.9 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -84.65 -38.74 19.45 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 122.049 -0.407 . . . . 0.0 110.819 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.3 -33.83 55.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 123.792 0.837 . . . . 0.0 111.407 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 32.1 m-85 -101.98 -11.08 19.21 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.085 0.402 . . . . 0.0 111.876 -176.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.51 -30.34 70.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.5 -20.7 61.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.565 ' CE1' ' HE1' ' A' ' 75' ' ' MET . 64.3 m-85 -77.51 -13.7 59.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.486 -0.293 . . . . 0.0 110.911 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.01 -62.73 0.47 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.941 169.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -152.27 93.68 1.84 Allowed 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 122.049 0.928 . . . . 0.0 112.389 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -78.31 63.56 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.56 -32.82 2.08 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.721 1.153 . . . . 0.0 111.982 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.03 171.17 16.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.391 0.595 . . . . 0.0 109.872 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.79 138.56 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.434 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -147.13 166.85 25.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' C ' ' H ' ' A' ' 47' ' ' ARG . 23.0 mt -140.96 102.26 6.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.7 16.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.4 1 C-N-CA 126.634 4.89 . . . . 0.0 116.435 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' H ' ' C ' ' A' ' 45' ' ' ILE . 56.2 ttp180 -48.61 131.5 17.61 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.96 128.73 28.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.058 0.456 . . . . 0.0 110.672 -174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -75.55 5.8 5.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.615 1.166 . . . . 0.0 113.162 -171.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -140.65 -16.54 0.9 Allowed 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.0 p -136.66 -5.05 1.99 Allowed 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.172 0.442 . . . . 0.0 111.886 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 46.45 24.99 0.34 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.421 1.488 . . . . 0.0 114.171 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.18 13.28 1.52 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -132.16 25.16 4.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.618 0.644 . . . . 0.0 111.48 -174.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -70.36 2.76 3.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.535 1.134 . . . . 0.0 112.882 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.09 -1.56 90.03 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-O 118.942 -0.921 . . . . 0.0 113.934 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 33.3 p90 -156.11 -176.05 5.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.937 1.368 . . . . 0.0 111.262 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.02 -176.41 4.99 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.201 0.601 . . . . 0.0 112.02 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.4 OUTLIER -147.3 59.33 1.16 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.319 1.448 . . . . 0.0 108.941 -177.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.423 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 12.7 t -68.17 152.27 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 14.0 ttp-105 -143.89 141.36 30.25 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -108.31 165.63 11.36 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.876 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -135.27 13.13 3.54 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.478 0.711 . . . . 0.0 112.518 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.52 135.88 33.92 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.16 -36.24 79.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -70.34 -41.61 72.97 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.652 0.66 . . . . 0.0 110.188 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -77.44 -27.66 52.27 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -36.55 50.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.14 -32.98 71.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.011 0.368 . . . . 0.0 110.528 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -73.02 -38.78 66.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.433 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.87 71.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.789 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -91.79 -26.44 18.55 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.989 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.08 -7.23 47.75 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.326 0.25 . . . . 0.0 111.086 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.27 -7.35 2.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.565 ' HE1' ' CE1' ' A' ' 37' ' ' TYR . 5.9 mmt -120.45 -22.5 6.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.947 0.794 . . . . 0.0 112.829 173.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.29 126.52 28.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.003 1.274 . . . . 0.0 109.888 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.82 3.25 83.71 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.799 -0.445 . . . . 0.0 112.301 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -175.36 0.92 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.714 0.757 . . . . 0.0 111.031 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.74 146.24 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.409 0.684 . . . . 0.0 109.176 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -108.15 -52.7 2.73 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.677 0.391 . . . . 0.0 109.958 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.73 -3.51 1.28 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.95 -16.21 0.61 Allowed Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.541 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -93.64 -160.88 0.8 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.778 0.789 . . . . 0.0 109.668 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -109.94 168.3 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.93 155.47 50.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -141.65 148.72 39.61 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.305 0.574 . . . . 0.0 110.805 -173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -164.28 131.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.495 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -165.36 169.71 15.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.388 0.675 . . . . 0.0 109.836 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.6 mmt -64.11 151.44 43.17 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.776 0.322 . . . . 0.0 110.664 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.84 175.19 5.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.842 0.457 . . . . 0.0 111.573 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -125.85 -8.14 6.68 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.235 0.614 . . . . 0.0 112.195 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -150.18 176.68 10.62 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-N 118.318 0.508 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.46 20.45 20.79 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 117.75 147.38 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.227 0 C-N-CA 131.307 3.843 . . . . 0.0 109.387 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.473 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 32.5 Cg_endo -60.21 143.28 99.53 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 124.528 3.485 . . . . 0.0 110.734 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -53.44 -26.78 37.16 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.28 3.32 . . . . 0.0 113.81 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -155.88 170.35 22.3 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m -49.03 -49.56 40.58 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -170.77 29.35 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 122.532 0.333 . . . . 0.0 110.341 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -132.95 5.13 3.86 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -170.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.253 1.239 0 CA-C-O 117.319 -1.325 . . . . 0.0 110.283 179.673 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . 0.412 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.416 -3.085 1 O4'-C1'-N19 112.948 4.748 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 C5'-C4'-C3' 106.398 -6.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.473 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 N19-C1'-C2' 107.586 -3.634 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 O4'-C1'-N19 117.745 9.545 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-O4' 112.715 2.511 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 114.23 6.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -144.7 15.21 1.58 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.135 0.574 . . . . 0.0 111.16 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -64.86 170.82 3.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.586 0.707 . . . . 0.0 111.871 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.68 165.41 38.64 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -58.37 148.38 64.31 Favored Pre-proline 0 N--CA 1.452 -0.352 0 CA-C-N 117.356 0.578 . . . . 0.0 111.005 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.62 156.86 62.56 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.615 2.877 . . . . 0.0 109.45 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.87 153.76 58.51 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.774 2.316 . . . . 0.0 110.779 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.07 12.95 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.498 3.465 . . . . 0.0 112.079 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -139.26 16.88 2.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.767 0.427 . . . . 0.0 110.944 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.36 -21.28 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 122.981 0.512 . . . . 0.0 111.362 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.53 2.28 10.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.565 0.746 . . . . 0.0 111.296 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.58 25.53 2.71 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.129 0.871 . . . . 0.0 111.081 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.2 mtp -134.0 160.64 37.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.783 0.833 . . . . 0.0 109.386 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -69.41 164.62 22.6 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.9 p -152.85 138.37 17.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.084 0.554 . . . . 0.0 109.522 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tp -142.76 93.71 2.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.351 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.8 tttp -61.29 150.65 34.18 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 123.934 0.894 . . . . 0.0 111.395 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 61.2 t -135.55 133.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.705 1.202 . . . . 0.0 107.806 174.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -154.78 -173.75 4.7 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t30 72.9 1.65 4.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.158 2.183 . . . . 0.0 114.805 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.606 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -56.37 170.7 0.34 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.434 0.694 . . . . 0.0 112.788 175.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -74.09 169.32 17.76 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.734 0.778 . . . . 0.0 112.541 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -77.42 10.13 2.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.751 0.82 . . . . 0.0 111.044 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -125.76 -8.01 6.74 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.027 0.931 . . . . 0.0 111.515 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -65.17 166.85 9.01 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 75.3 m -138.22 163.1 49.9 Favored Pre-proline 0 N--CA 1.456 -0.16 0 O-C-N 121.882 -0.511 . . . . 0.0 111.324 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.5 Cg_endo -69.82 -27.56 26.06 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.434 2.089 . . . . 0.0 111.413 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.42 -29.97 59.9 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.523 0.147 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -56.59 5.35 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' HA ' HG22 ' A' ' 33' ' ' VAL . 20.6 mt -58.66 -29.0 66.24 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.593 -173.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HD2' HG11 ' A' ' 40' ' ' VAL . 13.1 tpt180 -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.688 174.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm105 -89.83 -41.81 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.369 0.531 . . . . 0.0 112.336 -172.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.3 m -64.95 -22.26 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.815 0.846 . . . . 0.0 111.288 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 47.5 m-85 -104.72 -19.06 14.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.51 -23.79 67.39 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.699 0.681 . . . . 0.0 110.43 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.34 -21.43 62.05 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.818 0.447 . . . . 0.0 111.92 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 44.5 m-85 -73.68 -14.01 61.08 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 122.477 0.311 . . . . 0.0 110.644 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.92 -74.79 0.18 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.72 119.16 5.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.406 HG11 ' HD2' ' A' ' 31' ' ' ARG . 8.7 p -56.59 -19.73 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.178 0.591 . . . . 0.0 111.254 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 -58.4 2.47 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 125.016 1.293 . . . . 0.0 111.879 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -162.34 164.55 27.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.523 1.129 . . . . 0.0 108.298 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.6 p -150.78 134.37 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -146.49 156.86 43.58 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.37 94.65 5.63 Favored Pre-proline 0 N--CA 1.456 -0.147 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -62.25 -25.74 76.96 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.73 2.953 . . . . 0.0 114.665 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 27.5 ptt180 20.93 -97.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.791 1.636 . . . . 0.0 111.635 -171.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.543 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.2 t70 -153.79 129.3 9.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.558 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 2.7 ptm180 -75.32 10.08 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -134.47 -17.08 2.04 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.882 0.765 . . . . 0.0 112.361 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 p -133.99 -12.56 2.53 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 122.767 0.427 . . . . 0.0 111.67 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 36.88 44.23 0.34 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.143 1.777 . . . . 0.0 113.825 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.02 27.97 5.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.837 0.455 . . . . 0.0 111.669 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 56' ' ' GLY . 51.0 m -128.47 35.42 4.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.439 0.695 . . . . 0.0 110.652 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -66.68 15.87 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.901 1.28 . . . . 0.0 112.125 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -67.83 -0.87 15.19 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.606 -0.684 . . . . 0.0 113.14 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -155.78 177.58 11.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.01 0.905 . . . . 0.0 109.964 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.62 -175.32 4.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.675 0.75 . . . . 0.0 110.998 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.24 62.74 1.03 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.474 1.51 . . . . 0.0 107.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -68.34 144.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 106.014 -1.846 . . . . 0.0 106.014 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -143.71 105.06 4.27 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 120.323 1.419 . . . . 0.0 112.527 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.61 167.45 21.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -138.9 12.0 2.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.86 137.3 43.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.06 -34.9 79.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -67.23 -40.71 86.36 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.704 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.08 -16.85 28.84 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.19 -37.53 57.72 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.404 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.07 -34.2 68.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.116 -0.365 . . . . 0.0 110.449 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.27 -40.81 70.73 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.082 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.71 85.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.264 -0.273 . . . . 0.0 110.774 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -81.1 -29.32 34.92 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.349 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.54 -10.44 58.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.218 -0.301 . . . . 0.0 111.404 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.8 -6.29 3.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 5.4 mmt -122.63 -25.12 4.76 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.37 123.3 19.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.772 1.169 . . . . 0.0 109.461 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.8 1.95 90.62 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.7 -173.02 0.7 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.378 0.589 . . . . 0.0 111.3 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -134.17 148.46 30.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.67 -52.89 2.75 Favored 'General case' 0 C--N 1.339 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -139.96 -4.32 1.37 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.4 -13.81 0.71 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 122.088 -0.383 . . . . 0.0 112.253 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -90.95 -156.92 0.46 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.043 0.537 . . . . 0.0 109.806 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -115.36 166.65 11.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.588 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.03 160.91 36.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mmt-85 -143.09 139.81 30.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.294 0.237 . . . . 0.0 110.391 -173.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.52 121.25 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.39 167.51 25.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.738 0.415 . . . . 0.0 110.089 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.4 149.58 37.96 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.536 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 177.48 7.56 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.845 0.458 . . . . 0.0 112.143 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -135.88 171.88 13.83 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.098 0.959 . . . . 0.0 110.981 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 51.76 -165.18 0.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.055 1.342 . . . . 0.0 113.373 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.09 12.78 6.06 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 119.005 -0.886 . . . . 0.0 111.719 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 119.38 152.5 0.0 OUTLIER Pre-proline 0 C--N 1.346 0.414 0 C-N-CA 130.402 3.481 . . . . 0.0 110.024 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.545 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 83.0 Cg_exo -43.42 109.57 0.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 1 C-N-CA 125.34 4.027 . . . . 0.0 114.448 -176.031 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.44 -8.74 10.48 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.923 3.082 . . . . 0.0 112.74 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -143.36 44.4 1.53 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.255 0.622 . . . . 0.0 111.664 -174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.5 m -136.86 177.47 7.83 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.671 0.388 . . . . 0.0 110.433 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.6 p80 45.52 28.71 0.53 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.325 1.45 . . . . 0.0 113.767 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 5.01 3.24 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.249 0.62 . . . . 0.0 111.914 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.22 -1.371 . . . . 0.0 111.483 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.511 0 O4'-C1'-N19 111.136 2.936 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.419 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C5'-C4'-C3' 111.59 -2.607 . 0.058 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.545 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 N19-C1'-C2' 106.908 -4.057 . 0.135 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.558 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.568 2 O4'-C1'-N19 114.551 6.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 1 C5'-C4'-C3' 109.391 -4.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 O4'-C1'-N19 114.512 6.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -144.24 6.47 1.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.198 0.599 . . . . 0.0 111.169 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -143.26 174.8 10.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.492 0.717 . . . . 0.0 110.032 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.18 165.92 34.46 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -62.72 155.26 71.05 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 123.418 0.687 . . . . 0.0 111.058 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.46 154.93 7.86 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 124.353 3.369 . . . . 0.0 111.27 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.08 161.74 43.82 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.113 2.542 . . . . 0.0 110.492 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.25 169.1 23.07 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.598 2.865 . . . . 0.0 110.572 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 54.38 23.1 4.18 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.142 0.977 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.77 -20.26 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.72 0.295 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.64 3.31 6.5 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.649 0.78 . . . . 0.0 111.354 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.68 25.51 2.57 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.818 0.723 . . . . 0.0 111.657 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.6 mtm -138.41 172.27 13.15 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 117.457 0.629 . . . . 0.0 110.418 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -62.16 165.48 5.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.369 0.668 . . . . 0.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 p -150.91 52.3 0.86 Allowed 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 122.928 0.491 . . . . 0.0 110.592 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.74 149.01 51.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 10.4 pttp -128.67 166.23 19.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 118.654 0.661 . . . . 0.0 112.669 169.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 69.3 t -140.95 137.22 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.471 1.109 . . . . 0.0 109.373 -175.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -154.41 178.0 10.53 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.538 0.735 . . . . 0.0 112.57 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 t30 84.57 28.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.236 1.814 . . . . 0.0 113.967 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 177.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 112.694 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -95.87 169.1 10.23 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 122.889 0.476 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -69.93 6.72 1.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.211 0.604 . . . . 0.0 111.823 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -128.06 -6.66 5.48 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.992 0.917 . . . . 0.0 111.586 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.3 m -71.81 163.95 26.89 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -143.17 160.82 50.91 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 123.58 0.752 . . . . 0.0 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.67 -17.68 33.26 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 121.669 1.579 . . . . 0.0 110.852 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.38 -43.3 64.18 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 122.151 -0.343 . . . . 0.0 110.329 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -52.04 56.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' ' 33' ' ' VAL . 40.6 mt -57.88 -28.06 63.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.277 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.13 -48.9 74.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.715 0.689 . . . . 0.0 109.838 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.21 -42.87 20.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.4 m -66.64 -23.48 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.587 0.755 . . . . 0.0 111.265 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.8 -16.76 19.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.423 0.556 . . . . 0.0 112.335 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.68 -22.71 62.34 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.227 0.467 . . . . 0.0 111.786 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -75.21 -22.04 58.23 Favored 'General case' 0 C--N 1.337 0.055 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 75.6 m-85 -83.54 -17.38 42.02 Favored 'General case' 0 CA--C 1.523 -0.09 0 C-N-CA 122.535 0.334 . . . . 0.0 110.961 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.27 -160.01 27.79 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -60.7 90.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.523 1.529 . . . . 0.0 112.363 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -72.84 54.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.058 1.343 . . . . 0.0 107.479 169.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.54 -12.78 6.74 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 125.034 1.302 . . . . 0.0 113.466 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.63 146.68 27.42 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.817 0.809 . . . . 0.0 109.657 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.1 p -155.34 117.85 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -148.46 168.0 23.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.723 -173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.411 ' C ' ' H ' ' A' ' 47' ' ' ARG . 66.6 mt -141.73 98.37 6.41 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -55.18 13.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 1 C-N-CA 126.177 4.585 . . . . 0.0 117.072 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 45' ' ' ILE . 40.0 ptt180 -58.79 158.92 7.41 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.3 0.955 . . . . 0.0 109.957 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.41 126.4 15.04 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.416 0.626 . . . . 0.0 111.15 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 54.9 ttt-85 -67.64 -1.23 4.84 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.745 1.218 . . . . 0.0 113.0 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.85 -11.85 0.87 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -137.38 -1.83 2.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 118.117 0.417 . . . . 0.0 111.291 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.94 53.92 0.18 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.153 1.781 . . . . 0.0 113.579 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -115.06 16.13 17.09 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.2 m -128.79 28.17 5.39 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.271 0.629 . . . . 0.0 110.321 177.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -65.84 8.83 0.16 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.376 1.47 . . . . 0.0 112.934 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -69.03 -2.49 31.51 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.884 0.754 . . . . 0.0 113.365 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -155.09 -175.21 5.32 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.413 1.107 . . . . 0.0 111.238 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.74 -178.42 5.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.264 0.625 . . . . 0.0 110.521 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.453 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -149.92 68.99 1.01 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.315 0.646 . . . . 0.0 110.546 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 16.0 t -77.38 158.35 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 172.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.1 ttp-105 -151.94 156.37 39.93 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.198 0.908 . . . . 0.0 113.055 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -125.05 161.31 27.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.656 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -127.01 15.87 7.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -141.99 137.11 30.95 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.656 -0.652 . . . . 0.0 109.304 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.35 -30.14 71.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.27 -41.44 63.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.769 0.713 . . . . 0.0 109.718 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.96 -30.4 63.82 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.53 48.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.48 -33.19 70.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.595 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -72.82 -38.44 67.15 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.303 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.13 71.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.412 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -90.08 -28.38 19.05 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.296 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.0 -9.92 49.47 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.824 0.283 . . . . 0.0 111.352 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.72 -6.74 3.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.414 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.8 mmt -119.23 -26.29 5.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.661 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.39 124.98 25.5 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.92 1.236 . . . . 0.0 109.864 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.26 0.23 89.53 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.146 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -175.88 1.64 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.702 0.751 . . . . 0.0 110.945 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.4 144.19 35.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.76 -53.14 2.68 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.713 0.405 . . . . 0.0 110.333 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -137.64 -4.85 1.79 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.28 -10.07 0.84 Allowed Glycine 0 CA--C 1.528 0.86 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.939 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -103.01 -162.82 0.94 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.435 0.617 . . . . 0.0 109.507 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -106.07 168.45 9.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.67 151.29 51.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.8 mmt180 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.1 t -149.94 119.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.839 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -162.62 164.61 26.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.44 145.11 56.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.473 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.3 -178.13 4.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.149 0.58 . . . . 0.0 111.438 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -137.47 -9.11 1.68 Allowed 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 123.297 0.639 . . . . 0.0 112.131 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -134.07 179.17 6.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.522 0.729 . . . . 0.0 109.643 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.63 -31.58 1.22 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -156.79 142.4 12.68 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 125.153 1.381 . . . . 0.0 108.617 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.56 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 76.5 Cg_exo -45.78 142.91 7.11 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 125.087 3.858 . . . . 0.0 112.177 172.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.46 -25.69 10.93 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.942 2.428 . . . . 0.0 110.271 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.99 128.84 2.03 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.242 1.017 . . . . 0.0 108.74 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.9 p -163.95 -20.26 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -144.61 161.29 39.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -146.9 8.48 0.97 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -173.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.438 -179.615 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 1 O4'-C1'-N19 114.935 6.735 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.416 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-C3' 112.899 -1.734 . 0.353 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.56 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 N19-C1'-C2' 106.863 -4.086 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.516 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.774 2 O4'-C1'-N19 115.942 7.742 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-C3' 110.399 -3.401 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 1 O4'-C1'-N19 114.498 6.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m -142.27 8.31 1.81 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.977 0.511 . . . . 0.0 111.404 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -142.59 175.8 9.52 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.404 0.682 . . . . 0.0 110.354 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 169.22 41.56 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -55.58 145.93 47.33 Favored Pre-proline 0 N--CA 1.451 -0.39 0 C-N-CA 123.764 0.825 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.14 163.32 39.59 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 124.911 3.74 . . . . 0.0 111.915 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -52.05 154.19 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 124.083 3.189 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.47 12.78 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 124.401 3.4 . . . . 0.0 112.386 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 11' ' ' GLU . 24.3 t0 -137.71 20.03 2.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.187 0.449 . . . . 0.0 111.72 -174.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.15 9.44 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 121.809 -0.557 . . . . 0.0 111.947 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 9' ' ' ASP . 38.2 mt-10 -121.02 10.28 10.74 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.875 0.87 . . . . 0.0 109.839 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 12.79 5.19 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.737 1.16 . . . . 0.0 110.855 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.1 mtm -142.46 -179.84 6.52 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.805 1.242 . . . . 0.0 108.699 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -58.3 162.36 3.67 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.6 p -149.75 46.88 0.94 Allowed 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.196 -0.315 . . . . 0.0 111.723 -172.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -65.23 151.7 45.52 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 13.8 pttp -132.98 167.72 19.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 118.523 0.602 . . . . 0.0 111.694 168.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 93.3 t -138.95 141.97 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.921 0.888 . . . . 0.0 109.658 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -152.66 -175.33 5.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.035 0.934 . . . . 0.0 112.118 -174.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 66.42 35.94 5.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.139 1.375 . . . . 0.0 114.11 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 179.91 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.21 0.604 . . . . 0.0 112.213 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -98.06 164.55 12.3 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.3 0.64 . . . . 0.0 111.166 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -68.5 5.32 1.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.525 0.33 . . . . 0.0 111.855 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -123.09 -8.12 8.27 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.248 1.019 . . . . 0.0 111.089 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.5 m -69.33 165.19 21.2 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -146.58 164.32 24.78 Favored Pre-proline 0 C--N 1.333 -0.129 0 C-N-CA 123.718 0.807 . . . . 0.0 109.041 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.86 -19.73 35.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 121.514 1.476 . . . . 0.0 110.497 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.19 -35.58 36.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.813 0.279 . . . . 0.0 110.381 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -54.12 28.6 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 33' ' ' VAL . 34.1 mt -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.19 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.87 -46.88 85.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.491 0.587 . . . . 0.0 110.138 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -85.02 -43.42 13.97 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.416 0.553 . . . . 0.0 112.461 -174.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.2 m -65.47 -21.34 29.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 123.69 0.796 . . . . 0.0 111.658 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.464 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 36.0 m-85 -102.8 -17.41 15.59 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.393 0.542 . . . . 0.0 111.893 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.41 -24.14 67.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.803 -0.56 . . . . 0.0 110.623 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.99 -21.36 65.96 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 68.6 m-85 -78.68 -9.54 59.44 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 123.272 0.629 . . . . 0.0 110.732 178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.15 -78.69 0.19 Allowed Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -166.41 120.76 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.579 1.152 . . . . 0.0 108.431 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.1 130.89 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.23 -21.54 67.27 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -167.65 169.38 11.91 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.908 0.883 . . . . 0.0 109.673 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.43 128.05 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.229 0.612 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.41 166.77 29.1 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -140.92 96.21 7.43 Favored Pre-proline 0 C--O 1.232 0.141 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -60.07 19.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.395 1 C-N-CA 125.841 4.361 . . . . 0.0 116.426 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -55.39 154.72 5.88 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.265 0.938 . . . . 0.0 109.983 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.11 124.62 7.93 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.661 0.384 . . . . 0.0 111.386 -174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.585 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 2.1 ptm180 -72.86 8.6 1.45 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -135.75 -16.31 1.76 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.389 0.541 . . . . 0.0 112.188 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -141.06 0.45 1.55 Allowed 'General case' 0 C--O 1.231 0.109 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? 35.84 36.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.136 1.775 . . . . 0.0 113.933 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.71 11.87 16.43 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 56' ' ' GLY . 44.5 m -131.05 29.53 4.68 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 122.818 0.447 . . . . 0.0 111.551 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.96 5.27 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.662 1.185 . . . . 0.0 111.567 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.65 -4.74 20.45 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.155 0.883 . . . . 0.0 113.741 -177.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' CD1' ' C6 ' ' B' ' 102' ' ' ' U' . 13.5 p90 -155.09 -176.38 5.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.201 1.001 . . . . 0.0 110.536 177.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.39 179.7 7.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.937 0.495 . . . . 0.0 110.718 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.22 73.45 1.33 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.626 0.771 . . . . 0.0 109.341 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -75.78 165.75 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 171.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -153.98 160.3 42.01 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.329 0.968 . . . . 0.0 112.077 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.73 157.82 38.11 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.425 1.09 . . . . 0.0 110.014 170.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -132.91 12.85 4.34 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.316 0.646 . . . . 0.0 111.456 -173.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -131.38 124.6 30.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.0 -27.42 68.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -168.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -75.45 -39.03 59.31 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.283 0.947 . . . . 0.0 110.701 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -75.56 -27.1 58.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -40.27 62.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.427 0.291 . . . . 0.0 111.569 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -70.41 -31.27 68.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.944 -0.472 . . . . 0.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.41 -38.35 59.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.151 0.432 . . . . 0.0 110.749 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.9 72.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.113 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -88.91 -27.8 20.73 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.017 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.51 -8.95 55.19 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.623 0.192 . . . . 0.0 111.19 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.59 -7.62 3.66 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.427 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.8 mmt -115.91 -24.65 8.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.415 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.58 125.88 26.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.953 1.251 . . . . 0.0 110.169 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.53 90.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.355 -0.692 . . . . 0.0 112.368 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -179.82 1.76 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.151 0.975 . . . . 0.0 110.715 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.1 t -136.46 142.52 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 82' ' ' GLY . 52.6 tp -151.68 142.78 23.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 170.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.54 -3.99 0.07 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.338 1.455 . . . . 0.0 113.121 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.89 -2.06 31.8 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -98.26 -163.03 1.0 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.242 0.617 . . . . 0.0 109.75 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -107.03 167.47 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.0 mt -134.76 146.26 49.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -140.15 147.3 39.96 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.346 0.593 . . . . 0.0 111.15 -171.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.7 131.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.332 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.94 167.93 14.35 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.874 0.47 . . . . 0.0 110.085 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.25 144.75 56.42 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.956 -0.465 . . . . 0.0 110.748 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.91 177.82 4.06 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.775 0.43 . . . . 0.0 111.25 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -139.19 -9.86 1.29 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -134.26 163.52 29.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.937 0.495 . . . . 0.0 110.496 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.43 -43.92 8.26 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' HA ' ' C5 ' ' B' ' 104' ' ' ' C' . 3.8 ptp180 -172.67 161.17 3.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.867 1.667 . . . . 0.0 107.224 170.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.587 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 37.2 Cg_endo -58.0 139.1 89.21 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 125.302 4.001 . . . . 0.0 111.58 177.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -83.46 -17.17 6.5 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.652 2.901 . . . . 0.0 113.928 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -155.52 18.61 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.437 1.017 . . . . 0.0 113.369 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.1 m -71.36 -5.58 33.62 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.644 -0.66 . . . . 0.0 112.621 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -150.18 164.69 35.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.768 0.713 . . . . 0.0 111.406 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -149.19 169.87 19.75 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.695 0.798 . . . . 0.0 110.245 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.193 -1.384 . . . . 0.0 109.744 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . 0.414 ' C6 ' ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.418 -2.893 1 O4'-C1'-N19 114.964 6.764 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.416 ' C5 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C3'-C2'-C1' 104.068 2.853 . 0.26 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.587 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C5'-C4'-C3' 109.194 -4.204 . 0.425 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.585 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 O4'-C1'-N19 114.389 6.189 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C3'-C2'-C1' 104.457 3.286 . 0.095 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 1 O4'-C1'-N19 114.25 6.05 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.368 0.128 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -140.28 12.06 2.37 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.315 0.646 . . . . 0.0 111.356 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -140.93 174.59 10.37 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 123.918 0.887 . . . . 0.0 110.283 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.91 167.35 38.59 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.11 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.53 151.08 62.73 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.772 0.829 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.37 155.75 12.07 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.875 3.717 . . . . 0.0 112.705 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.25 158.75 53.83 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.307 2.671 . . . . 0.0 110.072 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.58 21.7 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 124.751 3.634 . . . . 0.0 113.746 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -137.63 9.9 2.89 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.425 0.557 . . . . 0.0 112.491 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.86 -13.84 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 O-C-N 122.084 -0.385 . . . . 0.0 111.356 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -78.01 4.58 11.84 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.437 0.695 . . . . 0.0 111.548 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.38 25.12 2.63 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.77 -0.461 . . . . 0.0 112.048 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.6 mtm -140.43 172.73 12.32 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.554 0.677 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.9 m -65.86 169.35 6.7 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.589 0.756 . . . . 0.0 109.305 177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -153.17 125.24 7.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -134.46 98.31 4.05 Favored 'General case' 0 N--CA 1.458 -0.074 0 O-C-N 123.083 0.239 . . . . 0.0 111.592 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 52.2 tttp -63.89 148.85 48.43 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.878 0.871 . . . . 0.0 111.266 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 78.0 t -133.63 133.6 57.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.85 -170.85 3.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.999 0.812 . . . . 0.0 111.971 -170.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' ND2' HH21 ' A' ' 83' ' ' ARG . 2.4 t30 58.13 87.71 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.294 1.437 . . . . 0.0 112.258 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 ' CD2' HD13 ' A' ' 30' ' ' LEU . 1.7 pp -139.75 173.12 11.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.128 -0.357 . . . . 0.0 111.728 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -77.37 170.08 17.18 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.339 0.59 . . . . 0.0 111.708 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -75.41 8.55 2.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.25 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.11 -19.83 10.7 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.158 0.435 . . . . 0.0 111.156 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -64.94 162.05 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 80.1 p -142.81 164.37 32.75 Favored Pre-proline 0 N--CA 1.455 -0.189 0 C-N-CA 122.902 0.481 . . . . 0.0 110.535 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 63.4 Cg_endo -71.03 -18.63 30.92 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.712 1.608 . . . . 0.0 110.93 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.18 -34.45 56.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.94 -0.475 . . . . 0.0 110.096 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -51.4 53.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.8 mt -59.44 -29.75 68.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.566 -173.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.93 -46.15 89.12 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -85.44 -43.72 13.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 118.456 0.571 . . . . 0.0 112.488 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.0 m -64.23 -23.73 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.882 0.873 . . . . 0.0 111.581 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 45.7 m-85 -102.04 -17.15 16.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.293 0.497 . . . . 0.0 112.055 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.86 -20.6 63.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.083 0.856 . . . . 0.0 112.088 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.29 -18.81 61.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.797 -0.565 . . . . 0.0 112.12 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 70.6 m-85 -86.89 -14.53 41.69 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.85 -175.51 23.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.721 -1.751 . . . . 0.0 108.721 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -63.85 118.98 9.15 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.5 -16.94 8.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.291 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.88 -51.49 2.36 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.454 1.502 . . . . 0.0 112.351 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.93 161.28 31.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.487 1.115 . . . . 0.0 108.545 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -147.47 120.58 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -144.3 165.01 29.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 47' ' ' ARG . 55.8 mt -140.93 94.32 8.0 Favored Pre-proline 0 CA--C 1.529 0.164 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.27 15.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.528 1 C-N-CA 126.182 4.588 . . . . 0.0 115.598 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 29.6 ptt180 -43.84 -62.35 1.14 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.93 0.892 . . . . 0.0 112.863 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.445 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 22.0 t70 -162.6 177.26 9.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.381 1.073 . . . . 0.0 108.301 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 19.3 ptt85 -131.11 8.95 4.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.583 0.629 . . . . 0.0 112.111 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -130.53 -21.09 2.86 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.023 0.529 . . . . 0.0 111.307 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -131.98 -23.81 2.2 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.522 0.329 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 46.58 63.05 2.04 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.687 1.195 . . . . 0.0 112.673 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -127.34 -19.33 4.28 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -76.71 39.27 0.21 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.75 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -66.73 16.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.419 1.488 . . . . 0.0 114.209 -173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.29 1.14 20.78 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 118.614 0.643 . . . . 0.0 113.129 -177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -155.45 -174.21 4.88 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.512 1.156 . . . . 0.0 110.653 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.46 -179.27 7.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 111.723 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.501 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.6 OUTLIER -153.07 64.19 0.77 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.142 1.377 . . . . 0.0 109.39 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 18.0 t -70.35 150.91 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -145.33 103.91 3.88 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.742 1.155 . . . . 0.0 112.118 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.08 162.35 29.09 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -128.28 2.85 5.73 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.339 0.656 . . . . 0.0 112.005 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -123.19 130.55 52.91 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -65.33 -22.12 66.78 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -171.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -83.49 -47.07 11.75 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.789 0.804 . . . . 0.0 109.091 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.46 -29.62 69.15 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.55 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.02 -43.23 14.14 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.69 -35.06 78.11 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.656 0.662 . . . . 0.0 110.48 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -68.62 -41.19 79.86 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.77 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.16 73.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.713 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -87.97 -27.61 21.98 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.771 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.6 -11.61 60.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.133 0.173 . . . . 0.0 111.04 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.92 -6.77 4.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.438 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.5 mmt -119.48 -22.48 6.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.092 0.86 . . . . 0.0 113.046 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -66.44 127.06 30.83 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 120.298 1.408 . . . . 0.0 110.408 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.75 3.45 83.76 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.257 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -177.0 1.22 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 117.54 0.67 . . . . 0.0 110.946 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.86 151.37 25.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 109.344 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.1 tp -119.03 -56.19 2.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.982 0.513 . . . . 0.0 111.106 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -131.0 -0.85 4.14 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.76 -13.38 2.42 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 112.171 -0.371 . . . . 0.0 112.171 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.467 HH21 ' ND2' ' A' ' 20' ' ' ASN . 10.9 ptm85 -85.17 -152.11 0.15 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 123.743 0.817 . . . . 0.0 110.335 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -122.86 156.34 34.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.065 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.48 149.71 46.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 30.7 mmt180 -142.81 147.64 35.8 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.719 -172.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -164.62 129.69 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.235 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -165.21 168.66 16.85 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.87 0.468 . . . . 0.0 109.986 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.3 149.75 41.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.079 0.466 . . . . 0.0 110.746 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.96 177.93 5.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.954 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.52 -10.33 6.84 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -151.56 178.97 8.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.086 0.955 . . . . 0.0 109.572 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.62 -45.89 1.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -159.67 153.28 19.05 Favored Pre-proline 0 N--CA 1.451 -0.404 0 C-N-CA 126.092 1.757 . . . . 0.0 107.755 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.593 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 51.8 Cg_exo -51.67 154.1 9.91 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 125.195 3.93 . . . . 0.0 112.047 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -74.43 -23.12 15.44 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.077 2.518 . . . . 0.0 110.49 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -153.02 159.42 42.88 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.427 1.491 . . . . 0.0 107.61 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m -53.67 -45.72 70.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 117.994 0.361 . . . . 0.0 111.768 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -167.71 8.04 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.887 0.475 . . . . 0.0 110.925 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -68.59 -4.72 16.38 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.763 0.825 . . . . 0.0 112.891 -176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.618 179.372 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.521 -2.652 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 112.333 -2.111 . 0.016 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.593 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 N19-C1'-C2' 107.113 -3.929 . 0.07 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.457 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.63 2 O4'-C1'-N19 116.152 7.952 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 C3'-C2'-C1' 104.443 3.27 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 O4'-C1'-N19 114.942 6.742 . 0.126 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -148.64 11.85 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 122.667 0.387 . . . . 0.0 111.343 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 22.2 m-85 -138.79 25.34 2.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 123.08 0.552 . . . . 0.0 110.119 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.25 170.03 54.51 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-O 121.564 0.536 . . . . 0.0 112.026 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 142.83 19.92 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.601 0.76 . . . . 0.0 111.05 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HD3' ' C6 ' ' B' ' 106' ' ' ' G' . 74.0 Cg_endo -71.83 163.27 39.4 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 124.59 3.527 . . . . 0.0 110.427 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.55 160.09 47.43 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.17 2.58 . . . . 0.0 110.647 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.24 13.81 0.82 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.918 3.745 . . . . 0.0 113.085 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -141.02 13.92 2.25 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.073 0.397 . . . . 0.0 111.834 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.4 -22.54 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.874 0.47 . . . . 0.0 111.324 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -8.18 55.52 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.501 0.72 . . . . 0.0 112.397 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.09 23.51 9.23 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.218 0.913 . . . . 0.0 112.012 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.5 mtm -138.26 170.84 15.32 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-N 117.673 0.736 . . . . 0.0 110.678 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.4 m -60.24 156.89 14.49 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -152.56 140.12 19.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.169 0.588 . . . . 0.0 109.536 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -143.8 91.68 2.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 119.452 -0.308 . . . . 0.0 111.328 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 49.8 tttp -60.64 151.97 27.64 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.151 0.981 . . . . 0.0 111.313 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 62.6 t -136.97 133.01 47.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.83 1.252 . . . . 0.0 107.859 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.48 -176.5 6.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.814 0.846 . . . . 0.0 112.462 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 84.37 0.81 0.9 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.041 2.137 . . . . 0.0 113.995 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.624 ' H ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.47 172.09 0.53 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.303 1.041 . . . . 0.0 113.296 178.265 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -75.88 171.94 13.56 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 121.409 0.623 . . . . 0.0 112.272 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -78.19 -4.53 48.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.89 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.92 -22.25 18.72 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.124 0.42 . . . . 0.0 110.22 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -61.66 164.18 6.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.724 0.81 . . . . 0.0 110.989 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 62.3 p -144.28 168.63 11.96 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 124.046 0.939 . . . . 0.0 108.856 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 87.8 Cg_endo -73.66 -21.08 19.54 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 121.417 1.411 . . . . 0.0 111.079 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.21 -31.89 43.86 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 122.305 -0.247 . . . . 0.0 110.754 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -48.67 60.69 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.63 -30.43 71.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.683 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -61.21 -39.57 90.71 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -88.1 -38.5 15.34 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.308 0.643 . . . . 0.0 111.358 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.57 -39.02 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 C-N-CA 124.126 0.97 . . . . 0.0 111.158 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 44.2 m-85 -97.49 -13.53 21.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.53 -28.5 65.51 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.82 -18.52 61.46 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.774 -0.579 . . . . 0.0 112.241 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 67.6 m-85 -86.29 -15.19 41.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.866 0.466 . . . . 0.0 111.127 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.74 -171.61 24.75 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 108.906 -1.677 . . . . 0.0 108.906 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -65.46 118.36 9.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.57 -18.8 10.05 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 -52.5 2.66 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 125.044 1.306 . . . . 0.0 112.209 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -161.49 162.71 30.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.954 0.902 . . . . 0.0 108.651 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.56 128.5 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -145.6 159.24 43.43 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.61 91.12 6.86 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -21.21 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.852 3.034 . . . . 0.0 114.082 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 29.5 -110.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 125.662 1.585 . . . . 0.0 109.729 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.97 122.49 7.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -62.77 -0.63 0.68 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.103 1.761 . . . . 0.0 113.496 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.09 -15.81 0.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.265 0.939 . . . . 0.0 113.366 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -133.65 -6.01 2.86 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.272 0.487 . . . . 0.0 111.884 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 30.1 59.85 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.472 1.909 . . . . 0.0 114.011 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -132.88 26.28 4.3 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 56' ' ' GLY . 41.4 m -130.93 36.15 3.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.285 0.634 . . . . 0.0 111.444 -176.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.39 -2.86 0.79 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 112.125 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -68.92 4.31 5.78 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.243 0.925 . . . . 0.0 114.442 -173.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.401 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 18.0 p90 -157.8 176.72 12.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.154 1.477 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.05 -174.75 4.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.956 0.902 . . . . 0.0 110.431 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -150.14 64.46 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.834 1.254 . . . . 0.0 108.103 -178.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.8 t -74.15 139.75 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 171.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -141.05 105.8 4.92 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.194 0.906 . . . . 0.0 111.828 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -74.47 163.84 27.29 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.43 10.12 4.79 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.255 0.622 . . . . 0.0 112.084 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.06 129.98 42.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.14 -32.85 74.34 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.32 -38.55 60.2 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.641 1.11 . . . . 0.0 110.186 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.15 -29.62 66.58 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.14 -43.18 19.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.68 -30.51 70.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.74 -0.6 . . . . 0.0 111.203 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.7 -37.92 59.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.495 0.589 . . . . 0.0 110.866 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.77 73.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.26 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -87.72 -28.66 21.62 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.885 0.766 . . . . 0.0 110.788 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.71 -9.88 56.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.285 -0.259 . . . . 0.0 111.327 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.23 -7.58 3.81 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.533 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.3 mmt -118.68 -26.22 6.18 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.793 175.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -66.28 117.91 9.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 120.22 1.373 . . . . 0.0 109.878 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.77 2.48 90.55 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.791 -0.449 . . . . 0.0 112.418 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -176.45 1.1 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.871 0.836 . . . . 0.0 111.119 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.86 115.0 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 C-N-CA 123.585 0.754 . . . . 0.0 109.437 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -92.38 -19.06 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -158.89 -16.36 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.25 -6.77 0.6 Allowed Glycine 0 CA--C 1.528 0.893 0 CA-C-N 118.394 0.543 . . . . 0.0 112.049 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -111.84 -156.89 0.6 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.418 0.687 . . . . 0.0 109.261 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.34 160.84 22.23 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.601 0.36 . . . . 0.0 110.464 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -120.28 161.19 21.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 26.4 mmt180 -139.31 136.48 34.9 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -151.24 119.24 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.62 166.7 26.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.06 146.87 52.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.291 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.16 177.56 7.15 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.408 0.283 . . . . 0.0 111.748 -175.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -141.74 -176.6 4.82 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.452 0.701 . . . . 0.0 110.779 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 53.52 -166.0 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.955 0.902 . . . . 0.0 111.812 -175.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.36 16.3 3.86 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.192 -0.782 . . . . 0.0 111.408 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 119.61 145.32 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.282 0 C-N-CA 130.82 3.648 . . . . 0.0 108.639 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.49 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 43.6 Cg_endo -66.21 126.68 16.12 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.497 3.464 . . . . 0.0 110.715 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.44 -9.96 8.99 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.891 3.061 . . . . 0.0 113.608 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -147.55 18.79 1.18 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p -68.8 -19.47 64.29 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.152 -0.342 . . . . 0.0 111.449 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -151.77 171.55 17.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.597 0.237 . . . . 0.0 111.447 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -147.08 176.11 10.19 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 110.28 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.062 -179.772 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . 0.401 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.414 -3.251 1 O4'-C1'-N19 113.138 4.938 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 C5'-C4'-C3' 111.933 -2.378 . 0.041 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.49 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 N19-C1'-C2' 107.542 -3.661 . 0.222 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.452 ' C8 ' H5'' ' B' ' 104' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.559 2 O4'-C1'-N19 115.307 7.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . 0.419 ' C6 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 C5'-C4'-C3' 111.957 -2.362 . 0.042 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 112.039 3.839 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 p -146.14 -3.2 0.67 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.92 0.488 . . . . 0.0 111.762 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -129.94 -175.88 3.75 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.574 0.749 . . . . 0.0 111.956 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.49 166.1 37.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -55.89 147.37 43.52 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.082 0.553 . . . . 0.0 111.611 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.82 164.23 36.17 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 124.367 3.378 . . . . 0.0 109.873 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.66 156.93 60.02 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.329 2.02 . . . . 0.0 110.317 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.68 13.94 2.45 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.219 3.28 . . . . 0.0 112.49 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -138.45 28.96 2.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.379 0.536 . . . . 0.0 111.608 -173.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.14 -26.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.212 -0.305 . . . . 0.0 111.053 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.6 0.19 13.44 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.348 0.659 . . . . 0.0 111.962 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.52 2.63 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.485 -0.62 . . . . 0.0 112.497 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -142.07 176.01 9.29 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 117.978 0.889 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 t -70.65 174.96 5.28 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.708 0.403 . . . . 0.0 110.411 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -149.17 49.82 0.97 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.207 1.003 . . . . 0.0 109.541 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.7 tm? -65.01 98.87 0.31 Allowed 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.028 0.931 . . . . 0.0 110.334 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -90.93 172.34 8.66 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 118.549 0.613 . . . . 0.0 112.423 -175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 74.3 t -148.12 138.83 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.676 1.19 . . . . 0.0 110.525 -172.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.7 174.87 13.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.03 0.932 . . . . 0.0 112.158 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 101.49 18.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.83 2.052 . . . . 0.0 114.397 169.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 177.21 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -96.3 168.35 10.63 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.084 0.553 . . . . 0.0 110.773 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -69.59 6.75 1.01 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.884 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -127.95 -8.16 5.48 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.62 0.768 . . . . 0.0 111.493 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.4 m -71.72 162.02 30.09 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -140.03 155.57 70.73 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.297 0.639 . . . . 0.0 109.396 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.24 -20.62 24.39 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.111 2.541 . . . . 0.0 112.167 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.53 -28.47 60.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -72.72 -50.65 23.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.23 -30.93 71.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -62.31 -44.39 96.62 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -80.72 -39.9 26.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 118.034 0.379 . . . . 0.0 110.714 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.74 -31.67 47.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 124.585 1.154 . . . . 0.0 111.187 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 26.7 m-85 -103.11 -11.43 18.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.994 0.361 . . . . 0.0 111.804 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -72.04 -24.03 61.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -67.82 -22.23 65.16 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 68.8 m-85 -76.33 -9.15 58.42 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.033 0.533 . . . . 0.0 110.888 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.17 -82.71 0.16 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.76 126.04 2.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.667 1.187 . . . . 0.0 108.01 172.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.87 133.22 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.63 66.47 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -167.41 169.28 12.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.787 0.835 . . . . 0.0 109.597 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.58 141.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -158.8 161.8 36.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.6 mt -141.58 90.73 8.71 Favored Pre-proline 0 N--CA 1.455 -0.213 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.15 -14.63 16.61 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 123.118 2.545 . . . . 0.0 113.177 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 25.79 -108.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 110.564 -175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -146.2 128.84 16.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -75.83 17.92 0.29 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 0.0 112.197 -173.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -138.84 -12.73 1.27 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 p -133.0 -17.98 2.37 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 122.63 0.372 . . . . 0.0 111.271 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 43.27 34.95 0.77 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.45 1.5 . . . . 0.0 113.512 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.25 8.67 4.71 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.7 m -93.57 29.2 2.06 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.204 0.602 . . . . 0.0 110.528 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.76 3.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.448 1.499 . . . . 0.0 112.012 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -57.94 -6.59 2.9 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.617 1.103 . . . . 0.0 114.167 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.45 ' CD1' ' C6 ' ' B' ' 102' ' ' ' U' . 3.4 p90 -151.77 179.71 8.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 118.547 1.174 . . . . 0.0 111.348 177.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.69 179.04 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.215 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.12 67.53 1.19 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.9 0.48 . . . . 0.0 111.235 -175.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 70.7 t -74.9 155.82 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 25.2 ttp-105 -149.48 160.81 43.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.212 0.46 . . . . 0.0 111.241 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.53 162.85 30.21 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.135 0.974 . . . . 0.0 110.515 173.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -135.34 15.56 3.46 Favored 'General case' 0 CA--C 1.528 0.11 0 O-C-N 124.001 0.813 . . . . 0.0 112.002 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.87 131.24 38.92 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -62.1 -30.94 71.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.51 -39.39 64.85 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.061 0.846 . . . . 0.0 110.558 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -77.71 -29.55 51.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.63 -46.7 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.804 0.441 . . . . 0.0 111.389 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.7 -32.55 72.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.22 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.41 -38.09 63.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 118.419 0.554 . . . . 0.0 110.641 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.07 72.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.152 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -90.62 -27.89 18.78 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 118.84 0.745 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -68.87 -10.21 55.75 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.356 -0.215 . . . . 0.0 111.189 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.45 -8.57 3.7 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.557 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 5.3 mmt -120.55 -18.33 7.84 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.77 52.56 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.072 1.305 . . . . 0.0 111.705 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.3 3.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.128 0.87 . . . . 0.0 112.672 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.82 -175.24 2.89 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.328 1.064 . . . . 0.0 111.146 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.94 120.6 26.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.65 -55.88 7.74 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.5 -1.16 0.4 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.61 -7.98 0.08 OUTLIER Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -121.47 -174.22 2.81 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.439 1.12 . . . . 0.0 109.584 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.98 171.63 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.819 0.448 . . . . 0.0 111.156 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.86 162.83 21.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -141.99 133.51 26.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -150.9 126.11 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.06 164.94 20.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.541 0.21 . . . . 0.0 110.957 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.9 mmt -65.82 148.65 51.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.333 0.253 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.39 -177.24 5.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.752 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.74 -9.42 1.39 Allowed 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 123.52 0.728 . . . . 0.0 112.16 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.71 174.87 10.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.031 0.532 . . . . 0.0 110.453 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.38 -27.93 5.95 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 172.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -154.27 154.67 30.0 Favored Pre-proline 0 N--CA 1.447 -0.589 0 C-N-CA 125.938 1.695 . . . . 0.0 107.501 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.504 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 19.5 Cg_endo -56.18 145.49 76.23 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 125.109 3.873 . . . . 0.0 110.462 172.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.63 -20.78 9.09 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.47 2.78 . . . . 0.0 114.256 -172.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.37 17.41 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.287 0.949 . . . . 0.0 113.336 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -69.23 -14.02 62.73 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.805 -0.559 . . . . 0.0 112.026 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -150.31 152.38 34.39 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.128 0.422 . . . . 0.0 110.284 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -164.58 170.59 15.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.705 0.802 . . . . 0.0 109.993 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.193 -178.752 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . 0.45 ' C6 ' ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 113.297 5.097 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C3'-C2'-C1' 103.38 2.089 . 0.136 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.504 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 N19-C1'-C2' 107.692 -3.568 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.433 ' C8 ' H5'' ' B' ' 104' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.72 2 O4'-C1'-N19 116.122 7.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C5'-C4'-C3' 111.58 -2.613 . 0.112 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 O4'-C1'-N19 113.102 4.902 . 0.128 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -155.08 171.37 19.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.653 0.781 . . . . 0.0 109.811 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.79 173.96 11.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.059 0.543 . . . . 0.0 110.758 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.42 176.39 39.58 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -52.78 149.64 11.07 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.221 1.008 . . . . 0.0 112.069 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.1 159.66 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.654 3.569 . . . . 0.0 111.875 170.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.57 150.85 15.35 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.309 2.673 . . . . 0.0 112.199 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -79.08 8.73 3.66 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.444 3.429 . . . . 0.0 113.089 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -140.64 19.56 2.35 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.634 0.652 . . . . 0.0 111.844 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.8 -11.77 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 121.942 -0.474 . . . . 0.0 111.892 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.43 4.09 41.03 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.327 0.651 . . . . 0.0 111.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.08 15.67 3.25 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.236 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.8 mtm -142.56 168.46 19.67 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.903 0.852 . . . . 0.0 109.442 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.1 t -68.88 177.74 2.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.661 0.267 . . . . 0.0 110.483 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -151.8 151.08 30.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.731 0.776 . . . . 0.0 110.893 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 tp -143.63 152.5 41.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 14.8 pttp -130.27 165.8 21.69 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.394 0.997 . . . . 0.0 111.787 170.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 72.7 t -139.68 133.48 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.497 1.119 . . . . 0.0 109.073 -176.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -151.95 -173.12 4.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.483 1.113 . . . . 0.0 111.449 -174.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 54.71 92.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.412 1.485 . . . . 0.0 112.027 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.46 175.53 8.15 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.924 0.49 . . . . 0.0 111.563 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -84.02 169.35 15.05 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 111.644 -176.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -70.82 7.29 1.18 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.054 0.541 . . . . 0.0 111.691 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 mmm-85 -128.1 -8.71 5.38 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.729 0.812 . . . . 0.0 111.751 -177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -70.98 160.95 31.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -145.3 161.82 39.95 Favored Pre-proline 0 CA--C 1.53 0.181 0 C-N-CA 123.373 0.669 . . . . 0.0 109.628 -177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.57 -23.12 23.6 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.073 1.848 . . . . 0.0 112.278 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.71 -33.9 60.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.319 0.509 . . . . 0.0 110.852 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.15 -49.88 63.21 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HA ' HG21 ' A' ' 33' ' ' VAL . 24.9 mt -59.8 -28.52 67.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.082 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.89 -45.9 84.0 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.547 0.612 . . . . 0.0 110.205 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -80.53 -44.69 18.67 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' 30' ' ' LEU . 16.7 m -67.19 -23.11 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 111.665 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.76 -16.37 19.9 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.368 0.531 . . . . 0.0 112.406 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.0 -31.3 68.67 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 0.647 . . . . 0.0 111.053 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.87 -22.17 65.99 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.968 0.507 . . . . 0.0 112.244 -175.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 71.6 m-85 -76.22 -12.31 60.07 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 122.687 0.395 . . . . 0.0 110.673 178.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.27 -73.29 0.25 Allowed Glycine 0 C--N 1.337 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -165.3 113.18 0.99 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.94 131.59 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.55 -23.77 61.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' CG ' ' H21' ' B' ' 106' ' ' ' G' . 39.2 t0 -168.11 171.74 9.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.789 0.435 . . . . 0.0 110.752 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -154.89 131.45 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.088 0.955 . . . . 0.0 108.785 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -152.54 161.16 42.96 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.47 96.74 4.78 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 -7.7 2.41 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 125.276 3.984 . . . . 0.0 117.755 -172.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 31.02 -117.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.113 0.965 . . . . 0.0 111.139 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.71 5.26 1.56 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.854 0.862 . . . . 0.0 111.697 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.585 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 3.8 ptm180 43.38 7.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.577 2.751 . . . . 0.0 115.846 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.93 -21.08 0.57 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.799 0.727 . . . . 0.0 112.655 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 p -128.86 -11.86 4.81 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.029 0.377 . . . . 0.0 111.374 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 43.82 44.13 5.51 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.821 1.248 . . . . 0.0 114.09 170.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.17 7.69 2.66 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -61.88 -41.39 97.82 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.054 0.843 . . . . 0.0 110.507 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 14.04 66.93 0.01 OUTLIER 'General case' 0 C--N 1.34 0.172 0 C-N-CA 127.723 2.409 . . . . 0.0 114.109 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.1 -3.4 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.256 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.23 178.88 9.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.16 0.98 . . . . 0.0 109.915 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.52 -179.86 7.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.964 0.505 . . . . 0.0 110.117 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -148.5 76.83 1.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.724 0.81 . . . . 0.0 109.99 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 25.7 t -80.85 158.28 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.48 160.57 40.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.974 0.807 . . . . 0.0 111.092 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -127.51 166.72 17.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.041 0.936 . . . . 0.0 108.815 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -139.41 12.37 2.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -133.65 135.71 44.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -62.73 -36.81 84.2 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -68.97 -40.96 78.54 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.898 0.772 . . . . 0.0 110.726 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.75 -29.86 56.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.03 -33.16 70.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.97 -0.456 . . . . 0.0 110.63 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -73.44 -38.1 65.63 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.561 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.68 -35.95 73.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.459 -0.305 . . . . 0.0 111.218 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.47 -29.04 20.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.361 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.23 -8.97 50.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.829 0.286 . . . . 0.0 111.187 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.59 -7.34 3.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.432 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.5 mmt -118.9 -26.51 6.01 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.677 0.671 . . . . 0.0 112.342 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.42 126.17 28.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 119.864 1.211 . . . . 0.0 110.437 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.26 0.99 85.11 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.513 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.02 -177.06 1.54 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.629 0.714 . . . . 0.0 110.903 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.53 142.03 41.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.081 0 C-N-CA 123.742 0.817 . . . . 0.0 109.415 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.43 -53.15 2.67 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 122.474 0.309 . . . . 0.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -137.82 -3.81 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.91 -7.38 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.774 -0.459 . . . . 0.0 112.798 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -109.94 -165.32 1.0 Allowed 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.562 0.681 . . . . 0.0 109.674 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -104.3 162.25 13.37 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.776 0.431 . . . . 0.0 110.129 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.49 151.3 49.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 21.6 mmt180 -139.87 137.61 35.03 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.042 0.448 . . . . 0.0 111.132 -172.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -152.12 124.85 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.531 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -164.44 165.93 21.0 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.492 0.317 . . . . 0.0 110.269 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.9 144.24 55.25 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.783 0.433 . . . . 0.0 111.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.94 178.34 4.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.872 0.469 . . . . 0.0 111.431 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -137.8 -15.48 1.36 Allowed 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.74 173.23 11.91 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.99 0.516 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.16 -33.95 4.11 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 172.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -154.97 145.63 16.19 Favored Pre-proline 0 N--CA 1.446 -0.654 0 C-N-CA 125.635 1.574 . . . . 0.0 107.626 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.515 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 38.4 Cg_endo -63.18 120.63 8.16 Favored 'Trans proline' 0 N--CA 1.45 -1.07 1 C-N-CA 125.486 4.124 . . . . 0.0 110.319 175.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.45 -0.85 10.94 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 124.118 3.212 . . . . 0.0 112.845 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.97 32.72 2.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.0 m -128.12 -18.95 4.03 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -162.63 146.5 11.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -149.44 1.98 0.54 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.137 -1.411 . . . . 0.0 110.963 -175.251 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 C5'-C4'-C3' 111.644 -2.571 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.585 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C5'-C4'-C3' 111.906 -2.396 . 0.085 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.515 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 N19-C1'-C2' 107.485 -3.697 . 0.175 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.585 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.652 2 O4'-C1'-N19 115.949 7.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . 0.434 HO2' " H5'" ' B' ' 107' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.932 -2.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . 0.434 " H5'" HO2' ' B' ' 106' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.793 1 O4'-C1'-N19 115.035 6.835 . 0.345 1o . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 m -144.2 11.38 1.54 Allowed 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 122.598 0.359 . . . . 0.0 111.702 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -140.62 177.8 7.77 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.276 0.631 . . . . 0.0 110.179 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 174.21 41.73 Favored Glycine 0 C--N 1.336 0.555 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ptm85 -60.03 154.18 51.5 Favored Pre-proline 0 N--CA 1.449 -0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.155 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.85 160.75 47.01 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.839 3.693 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.68 160.4 48.26 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.058 2.505 . . . . 0.0 110.127 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.62 18.81 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 124.304 3.336 . . . . 0.0 112.054 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 11' ' ' GLU . 31.4 t0 -138.63 23.96 2.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.358 0.526 . . . . 0.0 111.814 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.9 9.56 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 123.106 0.563 . . . . 0.0 112.159 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 9' ' ' ASP . 35.8 mt-10 -126.63 11.71 7.34 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.315 0.646 . . . . 0.0 110.072 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.87 17.81 2.99 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.734 0.683 . . . . 0.0 111.739 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.6 mtm -141.73 169.71 17.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.492 0.717 . . . . 0.0 110.465 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 m -63.99 159.64 19.6 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -150.02 125.77 10.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -131.18 93.95 3.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.717 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 46.6 tttp -64.53 147.16 53.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.407 1.083 . . . . 0.0 110.869 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 93.4 t -134.67 137.76 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.819 1.247 . . . . 0.0 108.027 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.63 -174.69 4.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.966 0.906 . . . . 0.0 112.395 -172.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 70.94 93.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.66 1.584 . . . . 0.0 111.452 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.508 ' CD2' ' HB ' ' A' ' 25' ' ' THR . 5.3 mt -117.51 169.7 9.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.555 1.542 . . . . 0.0 112.534 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.569 HG21 HH11 ' A' ' 83' ' ' ARG . 44.6 p -109.66 166.2 11.09 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.419 0.628 . . . . 0.0 110.196 165.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -71.22 4.7 2.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.08 172.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -121.67 -1.77 9.46 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 110.564 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.508 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 24.6 m -109.58 166.66 10.73 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 172.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 73.3 m -150.7 164.05 21.76 Favored Pre-proline 0 N--CA 1.457 -0.104 0 O-C-N 122.151 -0.343 . . . . 0.0 110.595 -170.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 54.2 Cg_endo -67.5 -16.72 47.95 Favored 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 122.477 2.118 . . . . 0.0 111.784 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.55 -34.11 60.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -49.04 66.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.23 -32.17 73.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.837 -178.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 -61.22 -40.06 92.6 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -88.75 -37.58 15.36 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.58 0.752 . . . . 0.0 111.286 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.08 -36.36 71.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 124.416 1.087 . . . . 0.0 110.937 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 45.8 m-85 -101.22 -11.91 19.14 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.7 -32.35 70.43 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.274 -0.266 . . . . 0.0 111.707 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.11 -19.65 64.05 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 61.2 m-85 -80.0 -11.93 59.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.813 0.445 . . . . 0.0 110.92 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.52 -85.39 0.14 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -152.52 121.85 6.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -57.3 -18.3 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.28 2.33 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.0 1.286 . . . . 0.0 111.96 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -155.64 163.58 39.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.868 0.867 . . . . 0.0 108.703 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.77 121.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -146.16 169.1 19.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.065 0.46 . . . . 0.0 111.62 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' C ' ' H ' ' A' ' 47' ' ' ARG . 56.9 mt -141.58 97.48 6.66 Favored Pre-proline 0 N--CA 1.457 -0.116 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 174.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -54.06 16.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 1 C-N-CA 126.848 5.032 . . . . 0.0 117.037 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 45' ' ' ILE . 19.2 ptt180 -58.35 160.15 5.49 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.841 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.6 129.25 40.15 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.025 0.441 . . . . 0.0 111.506 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 65.1 ttt-85 -67.03 1.89 1.75 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.975 1.31 . . . . 0.0 112.955 -175.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.81 -9.26 1.2 Allowed 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -134.72 -15.38 2.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.72 0.408 . . . . 0.0 111.542 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 35.59 42.76 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.97 2.108 . . . . 0.0 114.515 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.58 28.72 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.1 0.56 . . . . 0.0 111.64 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -128.83 35.67 4.31 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 123.419 0.688 . . . . 0.0 110.572 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -64.39 3.91 0.42 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.783 0.833 . . . . 0.0 112.546 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.3 11.8 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.041 0.829 . . . . 0.0 113.367 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -152.69 177.97 10.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.036 0.918 . . . . 0.0 110.767 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.37 5.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.932 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.7 OUTLIER -149.08 59.91 1.04 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.558 1.143 . . . . 0.0 109.023 178.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 10.0 t -69.91 145.2 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 170.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 ttp-105 -144.91 105.03 4.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.967 1.258 . . . . 0.0 112.779 -172.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -73.36 161.95 29.88 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -128.01 6.52 6.0 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.218 0.607 . . . . 0.0 111.91 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -129.98 126.73 38.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.0 -30.3 71.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -171.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.74 -43.71 68.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.266 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.53 -27.72 58.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.26 -39.26 59.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.489 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -75.47 -39.62 58.43 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.606 0.639 . . . . 0.0 111.032 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 119.313 -0.375 . . . . 0.0 111.475 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.403 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 19.8 ptt? -88.88 -27.02 21.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.97 0.805 . . . . 0.0 110.861 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.59 -6.66 48.03 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 122.144 0.177 . . . . 0.0 110.853 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.38 -5.93 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.56 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 4.5 mmt -123.31 -14.78 7.37 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 174.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.07 61.84 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.334 1.425 . . . . 0.0 112.217 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.52 -2.05 0.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.027 0.823 . . . . 0.0 111.94 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.02 -174.71 2.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.626 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.9 t -132.24 142.79 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 C-N-CA 123.803 0.841 . . . . 0.0 110.595 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.9 tp -148.55 138.29 22.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 172.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.0 t70 56.05 3.62 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.781 1.232 . . . . 0.0 113.162 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.92 7.38 44.4 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.569 HH11 HG21 ' A' ' 22' ' ' THR . 5.6 ptt-85 -107.67 -157.93 0.63 Allowed 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.137 0.975 . . . . 0.0 109.393 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -113.97 170.34 8.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -132.59 150.64 52.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -140.48 144.06 35.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.3 p -163.93 134.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -163.58 171.53 15.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.1 mmt -63.62 162.9 12.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.533 0.206 . . . . 0.0 110.624 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.04 179.68 3.88 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 111.596 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -138.58 179.01 6.72 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 124.14 0.976 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 50.11 -153.18 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.893 0.477 . . . . 0.0 110.697 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.19 -46.59 0.05 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -158.34 150.35 17.35 Favored Pre-proline 0 N--CA 1.451 -0.391 0 C-N-CA 125.56 1.544 . . . . 0.0 107.529 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.569 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 52.3 Cg_exo -47.89 137.75 21.71 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 125.007 3.805 . . . . 0.0 111.821 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.78 -31.25 5.39 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.897 2.398 . . . . 0.0 111.196 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -169.68 111.76 0.47 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.705 0.802 . . . . 0.0 109.494 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 m -150.33 2.86 0.49 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -148.78 166.11 29.43 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.181 0.446 . . . . 0.0 110.785 -175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -147.27 170.36 17.44 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.427 0.691 . . . . 0.0 110.443 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.024 179.383 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.82 4.62 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C5'-C4'-C3' 110.086 -3.609 . 0.411 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.569 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 N19-C1'-C2' 107.456 -3.715 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.497 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.667 2 O4'-C1'-N19 115.517 7.317 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C3'-C2'-C1' 104.174 2.971 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 114.613 6.413 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.404 0.145 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -148.16 -25.63 0.34 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.687 0.395 . . . . 0.0 110.604 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -146.32 172.27 13.75 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.11 0.964 . . . . 0.0 109.057 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 173.35 44.12 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -52.39 151.56 7.28 Favored Pre-proline 0 N--CA 1.447 -0.577 0 C-N-CA 123.818 0.847 . . . . 0.0 111.838 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 73.7 Cg_endo -72.2 157.29 54.14 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.066 3.177 . . . . 0.0 110.14 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.21 162.01 41.6 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.664 2.909 . . . . 0.0 110.194 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -83.2 24.91 0.71 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 124.292 3.328 . . . . 0.0 112.882 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -137.36 14.16 3.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.55 -9.97 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.538 0.735 . . . . 0.0 111.164 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.24 12.54 16.51 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.019 0.528 . . . . 0.0 110.823 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.31 9.7 6.21 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtm -145.01 175.47 10.21 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.707 0.803 . . . . 0.0 110.219 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.4 m -58.53 160.16 5.72 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.833 0.853 . . . . 0.0 110.129 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -149.95 132.03 15.33 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 6.4 tp -137.78 95.01 2.97 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.744 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HE3' ' C6 ' ' B' ' 103' ' ' ' C' . 13.3 ptmm? -69.94 160.37 32.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.923 0.392 . . . . 0.0 111.078 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 54.2 t -141.99 132.8 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.567 0.747 . . . . 0.0 109.785 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -155.99 -178.49 7.34 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.0 t30 90.2 -0.08 0.24 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.668 2.387 . . . . 0.0 114.156 170.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.613 ' CD1' ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.81 171.78 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.705 0.684 . . . . 0.0 112.302 176.454 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 p -72.88 167.1 21.68 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.473 0.654 . . . . 0.0 112.575 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -74.16 10.13 1.35 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.288 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -124.6 -12.99 7.13 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.717 0.807 . . . . 0.0 111.552 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -68.05 165.24 18.41 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.6 m -136.84 156.59 75.89 Favored Pre-proline 0 C--O 1.233 0.193 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.45 -18.07 43.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.946 2.431 . . . . 0.0 112.056 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 -31.73 48.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 -50.28 55.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.13 -32.42 73.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.27 -45.97 89.77 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -82.54 -39.15 22.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.654 0.264 . . . . 0.0 110.756 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.58 -32.02 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 111.292 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.489 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 36.0 m-85 -107.27 -10.08 15.91 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 118.164 0.438 . . . . 0.0 112.149 -175.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.24 -25.07 65.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.496 0.189 . . . . 0.0 110.851 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.38 -21.6 59.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 65.7 m-85 -77.99 -14.36 59.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.178 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.97 -61.57 0.47 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.388 -0.674 . . . . 0.0 113.75 171.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.17 90.42 1.27 Allowed 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.054 0.927 . . . . 0.0 113.198 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.01 62.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.454 1.102 . . . . 0.0 108.556 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.23 -20.36 9.66 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.976 1.274 . . . . 0.0 113.344 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -153.12 156.67 39.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.954 0.877 . . . . 0.0 109.447 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.37 124.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 C-N-CA 124.052 0.941 . . . . 0.0 108.711 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -151.52 167.8 26.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.5 -176.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.409 ' C ' ' H ' ' A' ' 47' ' ' ARG . 52.3 mt -142.86 91.34 7.3 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 124.251 1.02 . . . . 0.0 108.252 175.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.35 17.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.471 4.114 . . . . 0.0 115.003 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 37.2 ptt180 -41.72 -63.11 0.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.886 0.766 . . . . 0.0 112.11 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.496 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 7.1 t70 -163.73 -175.71 4.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 18.2 ttp180 -139.06 7.28 2.43 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.987 0.422 . . . . 0.0 110.845 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -137.12 -11.76 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.56 0.744 . . . . 0.0 111.259 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.1 p -130.32 -14.05 3.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.19 0.596 . . . . 0.0 110.776 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt 27.69 53.77 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.366 2.266 . . . . 0.0 114.259 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.47 -5.62 1.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 56' ' ' GLY . 37.7 m -79.52 39.42 0.4 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.549 0.613 . . . . 0.0 111.177 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.57 14.81 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.659 1.584 . . . . 0.0 114.426 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -68.01 0.99 9.05 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.397 -0.668 . . . . 0.0 113.386 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -158.93 178.58 9.93 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.33 1.065 . . . . 0.0 110.76 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.96 -173.61 4.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.774 0.83 . . . . 0.0 109.758 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.57 91.79 1.69 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.104 0.562 . . . . 0.0 109.764 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.09 160.66 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.6 ttp-105 -140.35 146.98 39.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 111.358 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -116.09 161.42 18.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.335 171.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -136.37 17.76 3.16 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.73 134.13 40.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.67 -36.91 82.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -69.98 -41.0 75.01 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.589 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.16 -25.76 39.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.29 55.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.489 -0.132 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.32 -33.16 69.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.348 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.65 -38.36 70.71 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.734 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.212 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.54 -28.09 20.98 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.588 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.54 -9.42 49.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.921 -0.487 . . . . 0.0 111.19 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 -5.78 3.06 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.56 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 5.0 mmt -124.66 -20.62 5.03 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.52 61.4 1.29 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.874 1.215 . . . . 0.0 111.542 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -5.46 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.884 0.754 . . . . 0.0 111.863 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -178.99 1.45 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.565 0.746 . . . . 0.0 111.524 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -136.38 127.47 42.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.544 0.738 . . . . 0.0 109.264 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.49 -54.25 6.65 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -148.75 -15.64 0.32 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.9 22.64 0.02 OUTLIER Glycine 0 CA--C 1.528 0.853 0 CA-C-N 118.654 0.661 . . . . 0.0 113.863 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -135.19 -149.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.412 1.085 . . . . 0.0 108.889 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.8 165.68 14.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.892 0.477 . . . . 0.0 110.076 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.65 158.32 38.86 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -138.67 138.43 37.78 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 122.689 0.396 . . . . 0.0 110.636 -173.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.1 t -152.34 118.1 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.271 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -158.79 168.33 27.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.752 0.31 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.3 mmt -66.46 148.68 51.53 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 110.526 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.39 179.58 5.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.72 0.295 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -138.67 -7.49 1.46 Allowed 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.112 0.565 . . . . 0.0 112.488 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.33 178.2 6.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.49 0.716 . . . . 0.0 110.521 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.69 19.91 6.54 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 122.43 147.53 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.201 0 C-N-CA 131.299 3.839 . . . . 0.0 108.912 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.501 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 36.5 Cg_endo -59.94 143.31 99.6 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 125.171 3.914 . . . . 0.0 110.854 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.83 -11.98 21.86 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.033 3.155 . . . . 0.0 112.211 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.12 160.57 42.91 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.3 m -58.16 -34.78 70.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -163.49 171.42 15.91 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 122.075 -0.391 . . . . 0.0 110.521 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -143.39 8.63 1.59 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.658 0.383 . . . . 0.0 111.5 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.749 -179.071 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.588 0 C5'-C4'-C3' 111.397 -2.735 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.461 ' C6 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C3'-C2'-C1' 104.721 3.579 . 0.085 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.501 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 N19-C1'-C2' 107.126 -3.921 . 0.307 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.448 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.429 2 O4'-C1'-N19 115.806 7.606 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . 0.426 HO2' ' P ' ' B' ' 107' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C5'-C4'-C3' 111.278 -2.815 OUTLIER-EPSILON 0.021 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . 0.426 ' P ' HO2' ' B' ' 106' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.005 1 O4'-C1'-N19 112.376 4.176 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -158.12 -12.07 0.08 Allowed 'General case' 0 N--CA 1.461 0.084 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 54.32 -170.22 0.06 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.062 0.945 . . . . 0.0 112.484 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.59 169.62 38.67 Favored Glycine 0 C--N 1.334 0.466 0 CA-C-O 121.352 0.418 . . . . 0.0 112.719 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.425 ' HD2' ' C6 ' ' B' ' 107' ' ' ' U' . 0.0 OUTLIER -60.01 159.4 20.92 Favored Pre-proline 0 N--CA 1.448 -0.548 0 C-N-CA 124.389 1.075 . . . . 0.0 112.647 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HD3' ' C6 ' ' B' ' 106' ' ' ' G' . 60.5 Cg_endo -68.86 165.81 28.56 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.995 3.797 . . . . 0.0 110.611 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -66.38 154.98 72.21 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.982 2.455 . . . . 0.0 110.883 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -79.06 18.2 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 124.901 3.734 . . . . 0.0 113.023 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -136.81 16.2 3.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.263 0.483 . . . . 0.0 111.969 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.8 -16.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 O-C-N 121.995 -0.44 . . . . 0.0 111.485 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.51 -7.93 54.65 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.455 0.702 . . . . 0.0 111.929 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.69 20.93 4.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 123.42 0.533 . . . . 0.0 112.601 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.3 mtm -141.46 164.52 30.0 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 117.739 0.769 . . . . 0.0 110.527 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -77.58 177.27 8.2 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.843 0.457 . . . . 0.0 110.24 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -147.36 135.61 21.57 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.501 0.721 . . . . 0.0 110.049 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.6 tm? -133.52 93.39 3.13 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 122.706 0.402 . . . . 0.0 110.394 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -69.02 154.83 41.39 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.068 1.347 . . . . 0.0 111.903 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 76.6 t -138.35 135.62 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 125.259 1.424 . . . . 0.0 108.067 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.86 177.91 10.96 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 85.38 12.41 0.23 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.029 2.131 . . . . 0.0 114.523 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -59.63 174.62 0.43 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.126 0.876 . . . . 0.0 112.515 178.348 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.7 p -78.83 169.67 17.86 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 121.51 0.671 . . . . 0.0 111.973 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -77.23 11.17 2.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.083 175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -126.79 -16.43 5.2 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.684 0.794 . . . . 0.0 111.891 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 84.9 m -74.54 167.08 22.44 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -140.85 162.02 50.85 Favored Pre-proline 0 CA--C 1.528 0.132 0 O-C-N 122.118 -0.364 . . . . 0.0 110.361 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.55 -17.08 43.41 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.159 1.906 . . . . 0.0 111.116 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.68 -43.24 72.89 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -51.74 54.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.9 mt -58.21 -26.6 63.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.961 -172.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -68.88 -42.11 77.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.222 0.464 . . . . 0.0 110.572 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -86.79 -41.91 13.72 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.8 m -67.12 -24.73 32.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 111.473 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 38.0 m-85 -96.8 -16.8 20.62 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 118.26 0.482 . . . . 0.0 112.293 174.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.18 -30.51 37.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.129 0.422 . . . . 0.0 111.841 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.97 -21.59 61.56 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 77.0 m-85 -84.45 -16.13 43.63 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 122.449 0.3 . . . . 0.0 110.773 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.7 -160.1 27.36 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -61.42 90.36 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -72.01 53.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.84 -8.23 5.51 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.166 1.365 . . . . 0.0 113.342 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.53 145.79 27.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 117.458 0.629 . . . . 0.0 109.556 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -153.77 107.41 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -137.24 165.67 25.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 47' ' ' ARG . 56.8 mt -140.42 96.97 7.66 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HB3' " H5'" ' B' ' 104' ' ' ' C' . 51.0 Cg_exo -55.48 20.83 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.526 1 C-N-CA 126.818 5.012 . . . . 0.0 116.841 178.213 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 45' ' ' ILE . 27.3 mtp180 -48.05 145.46 3.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.804 0.729 . . . . 0.0 110.403 174.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.06 125.17 17.9 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 62.5 ttt-85 -62.84 5.22 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.58 1.552 . . . . 0.0 113.68 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -143.96 -8.32 0.71 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -139.15 -22.48 0.92 Allowed 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.087 0.403 . . . . 0.0 111.662 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 46.28 24.57 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.934 1.694 . . . . 0.0 114.317 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.45 22.51 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.246 1.018 . . . . 0.0 113.067 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -133.67 38.08 3.26 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -170.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -59.67 -6.64 1.22 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.398 1.079 . . . . 0.0 112.756 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.8 4.93 4.95 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 119.198 -0.779 . . . . 0.0 114.626 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -159.13 176.4 12.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.254 1.527 . . . . 0.0 111.626 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.27 -173.33 4.47 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.924 0.89 . . . . 0.0 110.82 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.5 OUTLIER -148.9 60.54 1.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.32 1.448 . . . . 0.0 108.834 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 34.8 t -71.42 147.51 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 171.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 17.4 ttp-105 -141.17 143.85 34.46 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 112.305 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.08 161.61 15.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.241 171.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -126.29 15.53 7.77 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.194 0.598 . . . . 0.0 112.366 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -140.01 141.98 36.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.245 0.475 . . . . 0.0 110.223 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -60.25 -37.78 81.47 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.9 -37.5 64.64 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 119.046 0.839 . . . . 0.0 110.601 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -76.55 -31.51 57.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.2 67.28 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 122.853 0.461 . . . . 0.0 111.531 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -31.98 66.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 122.049 -0.407 . . . . 0.0 111.726 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -74.72 -38.28 62.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.66 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.83 72.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.804 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.59 -29.68 19.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 118.724 0.693 . . . . 0.0 110.494 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.79 -9.7 46.45 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.187 -0.32 . . . . 0.0 111.324 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.42 -6.32 3.33 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.432 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 mmt -120.78 -23.06 6.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.729 0.695 . . . . 0.0 112.625 174.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.8 125.63 26.88 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.739 1.154 . . . . 0.0 109.655 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.45 1.68 88.84 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.316 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 -174.54 0.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.7 0.75 . . . . 0.0 111.49 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -135.67 148.32 28.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.31 -53.32 2.67 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.096 0.559 . . . . 0.0 109.797 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -140.97 -3.65 1.23 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.44 -13.5 0.6 Allowed Glycine 0 C--N 1.341 0.836 0 O-C-N 122.089 -0.382 . . . . 0.0 112.681 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -91.74 -155.68 0.42 Allowed 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 117.662 0.731 . . . . 0.0 109.773 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 167.98 10.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.392 0.677 . . . . 0.0 109.68 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.89 156.17 49.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -141.57 144.83 34.46 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.2 t -153.44 125.09 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.281 1.032 . . . . 0.0 108.249 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -165.06 165.05 20.29 Favored 'General case' 0 C--O 1.227 -0.095 0 CA-C-N 117.817 0.28 . . . . 0.0 110.632 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.87 153.86 31.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.609 0.364 . . . . 0.0 110.974 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.4 174.18 5.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -127.46 -12.93 5.54 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.33 0.652 . . . . 0.0 112.646 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -149.56 165.27 32.73 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.12 0.418 . . . . 0.0 110.294 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.24 -37.94 54.41 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.492 ' HB2' ' CD ' ' A' ' 95' ' ' PRO . 4.3 ppt_? 159.0 167.73 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 129.807 3.243 . . . . 0.0 109.393 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.61 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 35.6 Cg_exo -54.69 145.26 60.85 Favored 'Trans proline' 0 N--CA 1.456 -0.685 1 C-N-CA 125.69 4.26 . . . . 0.0 112.365 -172.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.7 -44.16 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.97 2.447 . . . . 0.0 113.107 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -155.41 25.48 0.41 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.081 0.553 . . . . 0.0 111.913 -172.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.5 m -65.63 2.21 1.03 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -145.04 165.39 28.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.814 0.734 . . . . 0.0 111.314 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -149.22 160.78 43.08 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.55 0.74 . . . . 0.0 109.744 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.082 -1.437 . . . . 0.0 110.24 -179.526 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-C3' 111.464 -2.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C5'-C4'-C3' 112.539 -1.974 . 0.069 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.61 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.076 1 N19-C1'-C2' 106.147 -4.533 . 0.024 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.449 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.483 2 O4'-C1'-N19 115.906 7.706 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . 0.54 HO2' " C5'" ' B' ' 107' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 C3'-C2'-C1' 103.805 2.562 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . 0.54 " C5'" HO2' ' B' ' 106' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 113.625 5.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -148.32 171.8 15.41 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.824 0.45 . . . . 0.0 110.519 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 47.16 33.5 2.5 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.514 1.126 . . . . 0.0 112.176 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 169.51 28.67 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -54.49 148.95 22.67 Favored Pre-proline 0 N--CA 1.454 -0.24 0 C-N-CA 123.822 0.849 . . . . 0.0 111.198 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 60.2 Cg_endo -71.08 157.7 57.01 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.417 3.412 . . . . 0.0 111.035 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.98 160.99 33.32 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.642 2.895 . . . . 0.0 111.291 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.83 31.22 0.48 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 124.797 3.665 . . . . 0.0 111.348 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 11' ' ' GLU . 25.6 t0 -132.91 21.1 4.15 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.614 0.366 . . . . 0.0 111.724 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.79 16.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.964 0.905 . . . . 0.0 113.023 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 9' ' ' ASP . 40.3 mt-10 -125.25 10.24 8.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.795 0.838 . . . . 0.0 110.153 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 43.35 0.71 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.484 ' HG2' ' H ' ' A' ' 15' ' ' SER . 55.8 ttm -132.51 145.51 51.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.985 0.914 . . . . 0.0 110.539 -169.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.5 m -70.14 -28.69 65.56 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.595 0.358 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.484 ' H ' ' HG2' ' A' ' 13' ' ' MET . 39.6 m 46.82 50.16 13.68 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 125.574 1.549 . . . . 0.0 113.949 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.85 96.35 3.09 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.711 -0.618 . . . . 0.0 110.153 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' HE3' ' C6 ' ' B' ' 103' ' ' ' C' . 1.0 OUTLIER -70.73 155.12 41.17 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.993 0.36 . . . . 0.0 111.221 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -140.33 135.13 35.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.045 0.938 . . . . 0.0 109.368 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -157.12 -174.9 5.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.127 0.971 . . . . 0.0 112.337 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 74.57 6.66 4.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.696 1.999 . . . . 0.0 114.683 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' H ' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -61.62 175.09 0.66 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.879 0.763 . . . . 0.0 111.148 173.285 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 p -80.03 166.45 21.55 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.042 0.448 . . . . 0.0 111.988 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -77.91 -4.33 46.27 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.815 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -97.85 -18.7 18.57 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.2 m -71.11 167.49 19.19 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 74.4 m -141.62 161.08 53.98 Favored Pre-proline 0 CA--C 1.528 0.108 0 C-N-CA 122.933 0.493 . . . . 0.0 109.873 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 59.7 Cg_endo -69.81 -18.15 36.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.655 2.236 . . . . 0.0 111.678 -175.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.86 -31.18 51.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -50.48 44.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.65 -32.09 73.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.45 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -59.92 -44.86 94.07 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -82.8 -38.84 22.55 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 117.835 0.289 . . . . 0.0 111.291 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.71 -33.94 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -104.31 -11.42 17.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.09 -21.38 64.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.67 -19.05 61.5 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.876 -0.515 . . . . 0.0 112.144 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CE1' ' HE3' ' A' ' 75' ' ' MET . 84.5 m-85 -87.04 -13.44 44.35 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.401 0.68 . . . . 0.0 111.124 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.65 21.36 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -176.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -64.46 120.45 12.31 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.74 -17.12 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.928 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.29 -58.86 1.93 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 124.875 1.226 . . . . 0.0 111.884 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -151.73 159.11 44.09 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.865 0.866 . . . . 0.0 109.094 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.96 122.69 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -145.82 166.59 25.5 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 47' ' ' ARG . 43.1 mt -143.92 93.21 6.16 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 124.672 1.189 . . . . 0.0 107.92 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -62.34 16.59 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.356 1 C-N-CA 125.617 4.211 . . . . 0.0 115.259 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 31.1 ptt180 -41.19 -62.42 0.84 Allowed 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.8 0.84 . . . . 0.0 113.123 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 6.5 m-20 -154.02 -179.49 7.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.168 0.987 . . . . 0.0 109.022 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 44.1 ptt85 -134.64 16.35 3.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.47 0.176 . . . . 0.0 110.828 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -137.52 -21.15 1.16 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.244 0.618 . . . . 0.0 112.237 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -136.01 -10.31 2.02 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 122.717 0.407 . . . . 0.0 112.055 -174.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 32.06 61.38 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.993 1.717 . . . . 0.0 113.273 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.91 -8.52 1.04 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 56' ' ' GLY . 10.0 t -78.47 39.68 0.34 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.765 0.712 . . . . 0.0 111.057 177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -65.41 15.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.517 1.527 . . . . 0.0 114.311 -174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -66.06 -3.29 16.63 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.223 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -154.49 -176.35 5.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.175 0.987 . . . . 0.0 110.057 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -154.36 -176.9 6.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.338 0.655 . . . . 0.0 110.042 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -147.98 75.75 1.35 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.184 0.994 . . . . 0.0 109.042 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -76.16 148.44 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -148.75 106.04 3.63 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.733 0.697 . . . . 0.0 112.302 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -79.53 164.38 23.93 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 122.7 0.4 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -122.79 -6.13 8.55 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.142 0.577 . . . . 0.0 112.479 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -123.19 143.48 49.99 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 118.161 0.437 . . . . 0.0 111.18 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.19 -48.49 81.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.425 0.69 . . . . 0.0 112.613 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -73.9 -35.9 64.71 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 117.88 0.309 . . . . 0.0 111.77 -172.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.62 -30.52 67.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.34 -39.09 23.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.96 -30.19 68.57 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 121.779 -0.576 . . . . 0.0 111.243 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -76.22 -38.65 56.14 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.578 0.626 . . . . 0.0 110.29 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.98 70.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.557 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -91.24 -26.33 19.06 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 110.998 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.18 -9.48 58.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.111 0.164 . . . . 0.0 111.063 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 -9.75 3.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.561 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 6.0 mmt -115.18 -22.45 9.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.105 0.866 . . . . 0.0 112.909 174.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.35 125.34 23.81 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.834 1.197 . . . . 0.0 110.222 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 4.05 72.13 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.795 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.95 -178.22 1.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.897 0.848 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -141.74 149.56 19.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.7 -7.19 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.4 7.99 0.26 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.432 0.56 . . . . 0.0 111.805 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.05 5.3 44.08 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.551 -0.583 . . . . 0.0 111.883 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -106.82 -149.21 0.43 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -124.57 165.57 17.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.3 mt -135.63 154.47 51.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -142.69 146.0 33.96 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.673 0.749 . . . . 0.0 111.642 -173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 p -164.04 135.12 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.129 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -169.3 171.65 7.75 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.57 158.67 20.53 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.96 -173.42 2.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 112.219 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -131.62 175.11 9.45 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.404 1.081 . . . . 0.0 109.063 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 51.57 -165.52 0.05 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.376 0.608 . . . . 0.0 111.347 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -114.47 -35.99 1.36 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 107.166 -2.374 . . . . 0.0 107.166 167.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -170.37 161.89 6.25 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 126.883 2.073 . . . . 0.0 105.54 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.571 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 30.7 Cg_endo -55.62 141.06 84.24 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 124.404 3.403 . . . . 0.0 111.553 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.26 -6.99 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.846 3.031 . . . . 0.0 111.822 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -143.96 -171.67 3.6 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.71 1.204 . . . . 0.0 109.213 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 p -133.01 38.33 3.37 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.412 0.285 . . . . 0.0 111.396 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 45.38 52.08 9.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 112.453 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -52.16 156.33 1.66 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.784 0.834 . . . . 0.0 112.171 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.433 -1.27 . . . . 0.0 110.147 179.821 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.486 0 C5'-C4'-C3' 111.345 -2.77 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.456 ' C6 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 111.098 -2.934 . 0.066 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.571 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C5'-C4'-C3' 110.157 -3.562 . 0.124 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.49 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.673 2 O4'-C1'-N19 114.747 6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . 0.411 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 N19-C1'-C2' 108.417 -3.114 . 0.024 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O4'-C1'-N19 114.745 6.545 . 0.019 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -145.55 11.09 1.27 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 122.883 0.473 . . . . 0.0 111.712 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.79 175.87 9.26 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.088 0.555 . . . . 0.0 110.295 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.28 41.6 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -58.23 153.1 38.38 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.036 0.934 . . . . 0.0 111.527 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 72.5 Cg_endo -73.69 157.88 47.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.239 3.293 . . . . 0.0 110.619 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.59 146.43 53.69 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.701 2.934 . . . . 0.0 111.92 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -77.88 6.57 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.07 3.18 . . . . 0.0 111.818 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -142.87 21.52 1.96 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.16 0.584 . . . . 0.0 111.246 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.26 -20.02 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.201 1.0 . . . . 0.0 111.957 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.16 -6.99 51.0 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.47 0.708 . . . . 0.0 112.555 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.8 30.25 3.79 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.91 0.767 . . . . 0.0 112.996 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.4 mtm -134.61 173.32 11.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 117.93 0.865 . . . . 0.0 110.858 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -56.46 -33.82 66.29 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 123.227 0.611 . . . . 0.0 111.751 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m 40.76 47.56 2.5 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.831 1.252 . . . . 0.0 113.562 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -68.6 92.67 0.47 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.04 0.536 . . . . 0.0 110.41 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 11.7 pttp -70.25 164.01 25.26 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.777 0.717 . . . . 0.0 111.469 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 76.7 t -143.75 134.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 124.383 1.073 . . . . 0.0 109.053 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -153.41 177.25 11.1 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.518 0.727 . . . . 0.0 112.533 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 91.23 21.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.739 2.016 . . . . 0.0 113.622 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 175.84 0.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.63 0.772 . . . . 0.0 113.027 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' ARG . 16.2 p -84.33 167.93 16.08 Favored 'General case' 0 CA--C 1.524 -0.058 0 CA-C-O 121.551 0.691 . . . . 0.0 111.07 178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -70.87 9.14 0.73 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.603 0.761 . . . . 0.0 111.786 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' THR . 22.1 mmt180 -133.16 -7.39 3.02 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.088 0.955 . . . . 0.0 112.325 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.7 m -70.22 162.35 28.58 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 69.9 m -139.31 160.21 62.99 Favored Pre-proline 0 C--O 1.233 0.231 0 C-N-CA 123.445 0.698 . . . . 0.0 109.942 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.4 Cg_endo -72.22 -16.41 28.27 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.46 2.106 . . . . 0.0 111.635 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.39 -31.46 42.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -50.22 53.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.0 -30.94 71.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -61.26 -44.68 96.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -81.17 -39.97 24.67 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 122.329 -0.232 . . . . 0.0 110.854 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.2 -33.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 111.207 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG12 ' A' ' 18' ' ' VAL . 38.3 m-85 -103.63 -11.2 17.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.26 -21.41 64.81 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.805 0.275 . . . . 0.0 111.695 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.228 -0.064 0 O-C-N 121.83 -0.544 . . . . 0.0 111.795 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CE1' ' HE2' ' A' ' 75' ' ' MET . 79.1 m-85 -85.47 -14.26 46.61 Favored 'General case' 0 N--CA 1.458 -0.034 0 C-N-CA 123.231 0.612 . . . . 0.0 111.49 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.12 -175.05 23.44 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 108.349 -1.9 . . . . 0.0 108.349 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.27 119.46 10.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 m -58.52 -15.82 6.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.13 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.31 -56.89 2.84 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.554 1.073 . . . . 0.0 112.163 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -156.81 163.58 39.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.813 0.845 . . . . 0.0 108.784 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.7 127.4 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -150.88 155.44 39.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.906 0.384 . . . . 0.0 111.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -141.21 95.04 7.54 Favored Pre-proline 0 N--CA 1.456 -0.166 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 90.0 Cg_endo -74.11 -6.07 17.93 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.377 3.385 . . . . 0.0 115.776 -165.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 47' ' ' ARG . 10.9 mmt-85 35.43 -125.8 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -171.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.1 130.37 20.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 168.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.533 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 8.8 ptm180 -71.44 16.04 0.11 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -168.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.83 -13.01 1.26 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -136.26 -11.19 1.93 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.72 0.408 . . . . 0.0 111.731 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 37.52 48.57 0.9 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.342 1.857 . . . . 0.0 114.065 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.95 5.84 3.1 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 56' ' ' GLY . 19.2 m -85.51 35.69 0.62 Allowed 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.698 -0.626 . . . . 0.0 111.413 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.07 3.4 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.579 1.552 . . . . 0.0 112.859 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -66.23 -6.75 34.73 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 119.135 -0.814 . . . . 0.0 114.004 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -153.86 -179.55 7.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.173 1.487 . . . . 0.0 111.617 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.36 178.79 7.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.513 ' CE2' ' C6 ' ' B' ' 104' ' ' ' C' . 0.2 OUTLIER -150.93 62.27 0.92 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 21.5 t -75.3 148.37 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 171.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -152.09 109.09 3.52 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.894 1.224 . . . . 0.0 113.987 -173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.94 167.11 20.91 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.323 0.649 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -132.36 7.49 4.22 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.021 0.528 . . . . 0.0 112.188 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.14 134.37 45.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 122.736 0.414 . . . . 0.0 110.086 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.5 -34.24 75.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -172.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -76.56 -40.24 50.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.934 0.788 . . . . 0.0 110.939 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -70.92 -29.48 65.54 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.49 -41.95 19.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.76 -32.74 74.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.779 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.97 -38.54 66.68 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.527 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.47 71.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 119.265 -0.398 . . . . 0.0 111.525 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -91.25 -27.46 18.43 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 118.76 0.709 . . . . 0.0 110.794 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.9 -10.2 57.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.154 0.182 . . . . 0.0 111.036 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.28 -9.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.574 ' HE2' ' CE1' ' A' ' 37' ' ' TYR . 6.5 mmt -115.93 -23.85 8.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.149 0.886 . . . . 0.0 113.208 174.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.99 120.68 11.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.006 1.275 . . . . 0.0 110.153 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.7 4.46 85.19 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.35 -172.35 0.91 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.551 0.676 . . . . 0.0 111.344 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.42 149.28 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.894 0.877 . . . . 0.0 109.137 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 tp -120.39 -60.05 1.71 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.414 0.286 . . . . 0.0 111.599 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -118.05 -7.79 10.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.78 -14.85 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.248 0.452 . . . . 0.0 111.989 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -93.34 -160.76 0.78 Allowed 'General case' 0 C--N 1.341 0.219 0 CA-C-N 117.411 0.605 . . . . 0.0 109.456 176.307 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.75 169.73 8.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -136.36 156.53 48.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -144.95 154.32 42.46 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.457 0.646 . . . . 0.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -170.02 131.59 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.877 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -169.69 165.26 10.08 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 122.91 0.484 . . . . 0.0 109.954 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.09 148.97 46.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.727 0.411 . . . . 0.0 111.194 -177.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.71 177.55 4.09 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.932 0.493 . . . . 0.0 111.612 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -141.96 -6.72 0.96 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.16 -177.89 4.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.104 0.562 . . . . 0.0 111.102 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.89 21.65 5.85 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.351 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 122.97 144.66 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 130.786 3.634 . . . . 0.0 109.391 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 67.3 Cg_endo -70.25 129.94 17.91 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 125.137 3.891 . . . . 0.0 112.445 -174.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -83.23 179.22 5.25 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.961 3.107 . . . . 0.0 110.055 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.97 31.49 1.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.658 1.183 . . . . 0.0 114.118 174.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -134.68 -26.72 1.36 Allowed 'General case' 0 C--N 1.339 0.12 0 O-C-N 121.964 -0.46 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -157.71 145.44 18.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -166.12 172.22 11.53 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.384 0.674 . . . . 0.0 109.736 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.319 -178.361 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 1 O4'-C1'-N19 114.151 5.951 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . 0.585 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 C5'-C4'-C3' 112.651 -1.9 . 0.469 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' C' . . . . . 0.513 ' C6 ' ' CE2' ' A' ' 59' ' ' PHE . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 N19-C1'-C2' 107.58 -3.637 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' A' . . . . . 0.533 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 O4'-C1'-N19 114.84 6.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . 0.426 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 112.169 3.969 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 114.512 6.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.448 0.642 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.85 148.12 19.76 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 96.4 mtt180 -66.23 152.22 94.51 Favored Pre-proline 0 N--CA 1.448 -0.534 0 C-N-CA 122.535 0.334 . . . . 0.0 110.643 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 75.1 Cg_exo -49.8 148.73 11.95 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 124.461 3.441 . . . . 0.0 112.041 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.81 160.41 40.74 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.714 2.943 . . . . 0.0 111.086 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.1 39.38 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 1 C-N-CA 125.616 4.211 . . . . 0.0 111.145 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -129.31 15.29 6.13 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.063 0.545 . . . . 0.0 111.482 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.25 -10.05 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.23 0.612 . . . . 0.0 112.325 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.67 -7.06 53.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.965 0.506 . . . . 0.0 112.031 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.75 12.46 0.31 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.627 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.503 ' HG2' ' H ' ' A' ' 15' ' ' SER . 57.3 ttm -61.38 141.05 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.99 0.916 . . . . 0.0 110.952 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.5 m -73.05 -29.11 62.73 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.503 ' H ' ' HG2' ' A' ' 13' ' ' MET . 32.8 m 55.96 41.59 29.68 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 124.511 1.125 . . . . 0.0 113.256 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 tp -68.73 144.78 54.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 15.0 pttp -126.97 165.46 19.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.014 0.825 . . . . 0.0 111.846 170.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 92.1 t -140.06 138.52 37.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.928 0.891 . . . . 0.0 109.701 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.95 -177.56 6.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.09 1.356 . . . . 0.0 111.056 -175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 91.03 -0.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.322 2.249 . . . . 0.0 113.526 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.85 179.64 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.841 0.856 . . . . 0.0 111.527 176.14 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -92.04 169.73 10.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.226 0.536 . . . . 0.0 112.076 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -74.75 7.13 3.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.348 0.659 . . . . 0.0 111.472 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -122.52 -11.44 8.29 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 124.047 0.939 . . . . 0.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -66.44 165.62 14.0 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -143.86 157.44 57.99 Favored Pre-proline 0 C--O 1.233 0.217 0 C-N-CA 122.683 0.393 . . . . 0.0 110.129 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.24 -24.25 23.42 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.875 2.384 . . . . 0.0 112.891 -172.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.0 -28.18 65.3 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -55.22 8.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.39 -29.17 69.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.156 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -61.43 -46.68 89.08 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ttm105 -81.43 -38.69 26.08 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.714 0.406 . . . . 0.0 111.042 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.08 -34.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.262 1.025 . . . . 0.0 111.424 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 33.1 m-85 -100.76 -11.38 19.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.09 -25.8 67.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.391 0.277 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.99 -22.25 59.68 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 122.825 0.45 . . . . 0.0 111.887 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -74.41 -14.77 60.9 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.52 -60.93 0.46 Allowed Glycine 0 C--N 1.34 0.769 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.385 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -153.29 96.61 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.546 0.688 . . . . 0.0 111.401 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.04 59.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . -51.17 -21.89 6.2 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 124.788 1.185 . . . . 0.0 112.671 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -159.02 162.26 36.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 117.924 0.862 . . . . 0.0 110.493 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -157.41 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -151.32 161.9 41.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -142.8 89.73 7.95 Favored Pre-proline 0 CA--C 1.529 0.159 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.34 25.92 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.711 3.608 . . . . 0.0 112.376 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 34.2 ptt180 -32.47 -58.38 0.33 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.888 1.275 . . . . 0.0 112.466 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' HB2' ' H ' ' A' ' 52' ' ' LYS . 3.7 m-20 -156.89 -178.53 7.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -139.66 15.29 2.52 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 110.42 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -134.7 -11.39 2.35 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.024 0.53 . . . . 0.0 111.311 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.6 p -138.64 -18.13 1.09 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.655 0.782 . . . . 0.0 111.224 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' H ' ' HB2' ' A' ' 48' ' ' ASP . 96.4 mttt 35.47 56.51 0.87 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 126.748 2.019 . . . . 0.0 113.284 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -147.83 -0.52 0.62 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -62.54 -46.54 87.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.887 1.221 . . . . 0.0 111.19 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' H ' ' HB2' ' A' ' 47' ' ' ARG . 4.7 ptm180 36.57 19.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.359 2.664 . . . . 0.0 116.498 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.22 -8.87 80.23 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.899 -0.501 . . . . 0.0 112.887 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -158.0 -179.39 8.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.715 0.758 . . . . 0.0 110.311 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.93 -177.29 5.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.922 0.889 . . . . 0.0 109.46 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -144.18 75.6 1.47 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.936 0.895 . . . . 0.0 109.143 -177.177 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 13.1 t -76.15 151.1 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -147.89 155.39 41.55 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-N 119.275 0.943 . . . . 0.0 113.391 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -128.82 159.88 34.34 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.408 1.083 . . . . 0.0 109.835 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 29.0 m-70 -124.04 -2.88 8.13 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -125.76 134.6 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.25 -26.57 67.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -170.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.35 -39.85 64.87 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.355 0.98 . . . . 0.0 110.162 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.44 -26.91 34.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.87 65.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.821 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.43 -36.08 76.31 Favored 'General case' 0 N--CA 1.457 -0.101 0 O-C-N 121.933 -0.479 . . . . 0.0 110.701 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -70.12 -38.01 75.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.881 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.23 71.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.464 -0.303 . . . . 0.0 111.403 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -93.35 -25.66 17.61 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.292 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.34 -8.8 56.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.299 0.24 . . . . 0.0 111.299 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.19 -10.0 2.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.7 mmt -112.07 -28.04 8.15 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.399 0.999 . . . . 0.0 112.818 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.44 116.11 4.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 120.008 1.276 . . . . 0.0 110.213 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.82 3.39 62.33 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.218 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.41 -176.01 1.42 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.154 0.977 . . . . 0.0 110.209 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.21 118.39 17.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.11 -56.69 6.94 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -151.05 -0.56 0.37 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.26 -6.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.352 -0.693 . . . . 0.0 113.684 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -118.43 -172.31 2.25 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-N 118.192 0.996 . . . . 0.0 109.224 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -95.4 169.13 10.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.638 0.256 . . . . 0.0 110.833 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.02 157.03 29.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -136.84 143.92 43.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -162.19 126.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -164.56 167.85 18.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.64 143.45 57.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.96 177.61 2.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.739 0.415 . . . . 0.0 111.322 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -136.01 -8.59 2.07 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 112.293 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -134.22 165.4 25.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.728 0.642 . . . . 0.0 110.051 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.99 10.6 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -174.24 162.47 2.84 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.936 1.694 . . . . 0.0 106.455 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -61.52 143.12 96.93 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 124.052 3.168 . . . . 0.0 110.969 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.26 -22.37 4.93 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.513 2.809 . . . . 0.0 114.176 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -157.56 18.15 0.27 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.528 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.458 -0.06 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.91 175.01 36.78 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -60.39 154.42 53.89 Favored Pre-proline 0 N--CA 1.448 -0.558 0 C-N-CA 123.996 0.918 . . . . 0.0 111.947 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -71.09 163.88 37.67 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 124.643 3.562 . . . . 0.0 109.793 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.44 154.3 69.18 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.699 2.266 . . . . 0.0 110.396 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.59 19.42 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 124.44 3.427 . . . . 0.0 112.551 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -134.68 20.12 3.57 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.591 0.632 . . . . 0.0 111.795 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.46 -20.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 O-C-N 121.756 -0.59 . . . . 0.0 110.448 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.16 1.01 12.17 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.783 0.833 . . . . 0.0 111.608 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.75 17.82 3.02 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.554 0.597 . . . . 0.0 111.652 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.1 mtm -143.72 174.51 10.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.784 0.833 . . . . 0.0 109.86 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -66.18 168.76 8.02 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -154.08 57.56 0.72 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.718 0.407 . . . . 0.0 110.652 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 21.6 tp -69.83 150.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 36.4 tttp -126.12 154.69 42.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.829 0.852 . . . . 0.0 109.945 174.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 87' ' ' VAL . 71.6 t -136.57 136.55 48.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 124.306 1.042 . . . . 0.0 108.301 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.06 179.24 9.33 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t30 84.38 18.46 0.17 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.83 2.052 . . . . 0.0 114.075 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.3 169.36 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -81.24 169.81 16.86 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -71.18 8.17 1.06 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.827 0.451 . . . . 0.0 111.653 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -130.55 -7.87 4.13 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.039 0.936 . . . . 0.0 111.989 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -71.02 162.75 28.9 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.982 0.356 . . . . 0.0 110.142 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.77 156.32 62.73 Favored Pre-proline 0 N--CA 1.455 -0.192 0 C-N-CA 123.203 0.601 . . . . 0.0 109.454 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.56 -17.85 29.67 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 122.841 2.361 . . . . 0.0 112.149 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -76.11 -31.05 58.49 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -50.21 34.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.53 -31.85 73.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.311 0.382 . . . . 0.0 110.762 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.36 -48.01 83.27 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -81.28 -37.12 28.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.688 0.395 . . . . 0.0 111.061 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.09 -36.01 69.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 124.008 0.923 . . . . 0.0 111.419 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.4 m-85 -99.07 -11.71 21.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.85 -25.07 67.75 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.51 0.324 . . . . 0.0 111.534 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.12 -20.88 57.24 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.15 -14.95 59.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.15 0.281 . . . . 0.0 110.826 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.1 -73.06 0.26 Allowed Glycine 0 C--N 1.341 0.849 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.483 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -150.21 101.68 3.02 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-O 122.167 0.984 . . . . 0.0 111.515 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.5 55.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.21 -17.63 4.15 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 124.544 1.069 . . . . 0.0 113.843 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -155.23 157.91 38.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.98 0.89 . . . . 0.0 109.76 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.39 131.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.51 156.53 43.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mt -145.5 94.76 5.1 Favored Pre-proline 0 C--O 1.231 0.124 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 24.7 Cg_exo -63.19 -22.23 72.64 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.471 3.447 . . . . 0.0 116.946 -173.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 32.07 -110.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.015 0.926 . . . . 0.0 109.223 -166.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -146.39 128.34 15.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -71.9 21.04 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -171.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -134.92 -7.02 2.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 111.348 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 p -140.62 -29.43 0.68 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.233 0.613 . . . . 0.0 110.436 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 48.54 33.48 4.12 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.056 1.743 . . . . 0.0 113.437 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -135.83 11.61 3.39 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -60.3 -30.47 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.715 0.689 . . . . 0.0 111.654 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 24.33 75.37 0.02 OUTLIER 'General case' 0 C--N 1.342 0.241 0 C-N-CA 126.719 2.008 . . . . 0.0 113.83 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.49 -1.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.473 -0.626 . . . . 0.0 113.551 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 23.0 p90 -157.87 179.5 9.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.391 1.095 . . . . 0.0 109.958 177.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.88 -176.16 5.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.408 0.623 . . . . 0.0 111.279 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -149.05 56.11 1.0 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.48 1.512 . . . . 0.0 108.306 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 3.7 t -68.88 144.64 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 18.5 ttp180 -144.71 154.92 43.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -172.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.09 164.02 21.8 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.648 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -129.95 8.94 5.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.8 131.78 37.91 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -63.77 -34.71 78.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -69.03 -38.88 79.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.582 0.628 . . . . 0.0 110.644 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -77.12 -27.5 54.04 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -35.76 51.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.453 0.301 . . . . 0.0 111.539 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -71.19 -33.07 69.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.23 -0.294 . . . . 0.0 110.482 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -71.56 -38.21 71.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.385 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.27 72.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 119.392 -0.337 . . . . 0.0 111.546 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -90.08 -28.42 19.02 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 118.589 0.632 . . . . 0.0 110.63 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.82 -8.56 44.64 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.883 -0.511 . . . . 0.0 111.294 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.47 -7.96 3.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.2 mmt -120.69 -24.98 5.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.81 0.732 . . . . 0.0 112.917 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.24 126.09 28.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 119.815 1.189 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.55 0.92 90.37 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 123.174 0.416 . . . . 0.0 112.324 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.71 -178.77 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.477 0.638 . . . . 0.0 110.449 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.23 143.4 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.324 0.583 . . . . 0.0 111.022 -174.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 82' ' ' GLY . 67.1 tp -149.81 139.39 21.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.9 t70 54.68 0.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.654 1.582 . . . . 0.0 113.192 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.91 -1.6 31.74 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 177.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -94.6 -158.41 0.63 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 117.72 0.76 . . . . 0.0 109.813 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -113.7 166.65 11.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.6 152.32 51.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 16.8 mmt180 -140.19 141.21 35.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.859 0.361 . . . . 0.0 111.231 -170.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 75' ' ' MET . 48.3 t -151.43 124.1 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.03 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -163.31 166.17 23.35 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 123.039 0.536 . . . . 0.0 109.845 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.79 146.15 54.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.55 0.34 . . . . 0.0 110.714 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.23 177.55 3.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.577 0.751 . . . . 0.0 112.704 -175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.09 175.3 9.7 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.726 1.21 . . . . 0.0 109.985 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 49.69 -159.84 0.06 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.806 0.842 . . . . 0.0 112.662 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.21 16.01 3.67 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 119.118 -0.823 . . . . 0.0 111.674 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 119.63 155.54 0.0 OUTLIER Pre-proline 0 C--N 1.343 0.31 0 C-N-CA 130.978 3.711 . . . . 0.0 109.315 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -44.92 132.69 10.82 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.554 3.502 . . . . 0.0 113.087 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -81.43 -19.9 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.668 2.912 . . . . 0.0 113.039 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -159.03 10.9 0.14 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.332 -0.158 0 O-C-N 121.751 -0.593 . . . . 0.0 111.495 -179.667 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.68 177.24 44.58 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -55.31 148.91 29.49 Favored Pre-proline 0 N--CA 1.448 -0.571 0 C-N-CA 123.739 0.815 . . . . 0.0 110.372 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 157.42 57.13 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 124.345 3.363 . . . . 0.0 111.213 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -53.73 157.95 9.15 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.936 3.091 . . . . 0.0 112.249 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.36 171.49 17.97 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.769 2.979 . . . . 0.0 111.036 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 56.08 17.62 2.77 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.018 1.327 . . . . 0.0 112.528 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.62 -13.36 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 122.059 -0.4 . . . . 0.0 111.254 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -72.49 -2.8 21.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.707 0.803 . . . . 0.0 111.452 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.35 36.03 1.3 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.638 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.56 172.79 11.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.827 0.813 . . . . 0.0 110.406 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.1 m -56.37 -34.12 66.35 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.836 0.855 . . . . 0.0 112.631 -172.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.7 m 42.26 43.07 2.8 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.39 1.076 . . . . 0.0 113.208 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.4 tm? -69.72 114.26 7.76 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 11.1 pttp -104.03 169.49 8.47 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 97.6 t -138.81 139.05 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.091 0.956 . . . . 0.0 109.786 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.68 -174.65 4.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.432 1.093 . . . . 0.0 112.176 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 77.79 -4.61 2.23 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 127.167 2.187 . . . . 0.0 114.422 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.795 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -54.97 168.24 0.32 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.068 0.849 . . . . 0.0 111.777 176.09 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.5 p -70.08 163.35 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.248 0.546 . . . . 0.0 111.984 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -74.18 7.15 2.92 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.821 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -118.74 -14.83 9.51 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.057 0.943 . . . . 0.0 111.526 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 26' ' ' SER . 72.0 m -70.04 169.07 14.14 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 171.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 72.5 m -141.71 158.71 62.17 Favored Pre-proline 0 C--N 1.331 -0.2 0 C-N-CA 122.632 0.373 . . . . 0.0 110.287 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 57.6 Cg_endo -69.67 -21.59 33.68 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.973 2.449 . . . . 0.0 112.5 -174.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.49 -30.42 53.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -48.27 62.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.57 -30.13 71.29 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.89 -43.89 97.86 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -84.85 -39.02 18.79 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 117.932 0.333 . . . . 0.0 110.875 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.25 -32.01 43.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.729 0.812 . . . . 0.0 111.128 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.1 m-85 -108.05 -10.35 15.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.957 0.344 . . . . 0.0 111.727 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.21 -26.22 65.61 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.357 -0.214 . . . . 0.0 111.084 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.51 -19.76 63.72 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.03 -0.419 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -80.5 -8.86 59.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.136 0.574 . . . . 0.0 111.009 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.73 -84.79 0.15 Allowed Glycine 0 C--N 1.338 0.681 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -152.63 126.64 9.07 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -56.23 -20.49 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 119.407 -0.33 . . . . 0.0 111.81 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.64 -49.43 2.03 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 124.98 1.276 . . . . 0.0 111.981 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.69 163.13 29.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.029 0.932 . . . . 0.0 108.695 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.06 132.45 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -152.53 172.61 16.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.715 0.406 . . . . 0.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 47' ' ' ARG . 22.1 mt -140.54 101.8 6.63 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.31 12.69 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.378 1 C-N-CA 126.98 5.12 . . . . 0.0 116.408 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 45' ' ' ILE . 63.4 ttt180 -50.51 139.99 14.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.791 0.836 . . . . 0.0 109.61 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.49 136.4 32.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.0 0.428 . . . . 0.0 111.307 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -77.49 0.7 21.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.367 1.067 . . . . 0.0 112.756 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.25 -12.91 0.41 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -129.87 -13.26 4.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.112 0.415 . . . . 0.0 111.27 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.1 23.24 1.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.83 -0.06 41.69 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m -117.53 33.58 5.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -68.56 0.96 3.5 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.6 0.36 . . . . 0.0 111.17 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.51 -8.95 34.91 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.062 0.839 . . . . 0.0 114.148 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.73 -176.83 6.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 1.212 . . . . 0.0 110.682 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.85 -176.9 5.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.519 0.728 . . . . 0.0 110.446 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.33 79.46 1.58 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.214 0.606 . . . . 0.0 110.371 -176.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 99.4 t -76.35 159.97 5.09 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 169.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -157.09 103.41 2.02 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.611 1.096 . . . . 0.0 112.477 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -79.28 164.86 23.79 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.978 0.511 . . . . 0.0 109.919 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -131.22 10.03 4.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -133.68 129.59 37.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -61.38 -32.44 72.37 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -73.39 -39.39 65.14 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.836 0.744 . . . . 0.0 110.631 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.12 -29.71 54.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.05 71.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.206 0.602 . . . . 0.0 111.59 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.85 -34.37 73.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.741 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.39 -37.07 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.581 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.41 73.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.8 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -89.7 -29.06 19.02 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.497 0.589 . . . . 0.0 110.735 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.41 -9.87 51.37 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.875 0.307 . . . . 0.0 111.103 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.35 -7.11 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -122.97 -24.82 4.69 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 175.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.46 125.22 25.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 120.112 1.324 . . . . 0.0 109.859 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.77 0.79 88.69 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.226 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.51 -173.76 0.78 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.448 0.624 . . . . 0.0 111.071 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.0 145.65 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.404 0.682 . . . . 0.0 109.406 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 80' ' ' LEU . 3.1 tm? -105.52 -52.52 2.81 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.183 0.593 . . . . 0.0 109.801 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.57 -5.59 0.93 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.82 -14.42 0.34 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.769 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -92.62 -157.44 0.53 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 117.522 0.661 . . . . 0.0 109.712 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -113.46 168.74 9.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.51 159.22 41.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -143.57 139.52 29.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.413 0.285 . . . . 0.0 110.598 -173.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 16' ' ' LEU . 48.0 t -150.65 122.14 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -166.52 162.56 16.82 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.695 0.398 . . . . 0.0 110.708 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -62.88 151.66 38.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.932 0.493 . . . . 0.0 111.491 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.25 177.47 3.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -124.23 -12.22 7.39 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.75 0.82 . . . . 0.0 111.554 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -152.27 172.18 16.83 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.497 0.719 . . . . 0.0 109.387 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.87 10.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -153.57 152.06 26.56 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.966 1.707 . . . . 0.0 107.729 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 19.2 Cg_endo -56.01 132.49 52.29 Favored 'Trans proline' 0 N--CA 1.455 -0.774 1 C-N-CA 125.384 4.056 . . . . 0.0 110.486 176.321 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 71.1 Cg_exo -52.37 -30.59 43.85 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.753 2.969 . . . . 0.0 113.307 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -162.75 130.76 3.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.826 0.45 . . . . 0.0 110.251 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 CA--C 1.528 0.107 0 C-N-CA 123.413 0.685 . . . . 0.0 111.087 175.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 169.44 42.56 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptm85 -53.07 151.23 9.26 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 123.892 0.877 . . . . 0.0 111.091 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.6 152.37 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 124.274 3.316 . . . . 0.0 110.074 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.93 161.94 42.3 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.61 2.873 . . . . 0.0 111.302 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -81.79 178.53 6.43 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.148 3.232 . . . . 0.0 110.975 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 58.9 17.98 5.78 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.032 1.333 . . . . 0.0 113.317 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.48 -19.36 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 122.029 -0.419 . . . . 0.0 110.729 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.26 -0.62 6.4 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.368 0.667 . . . . 0.0 111.427 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.83 22.27 3.14 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.08 0.848 . . . . 0.0 111.413 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.0 mtm -140.85 170.48 15.67 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.667 0.787 . . . . 0.0 109.969 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -64.62 163.61 13.41 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.952 0.501 . . . . 0.0 109.885 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 m -149.93 56.52 0.96 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.782 0.433 . . . . 0.0 110.385 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 24.6 tp -70.0 147.37 50.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 28.8 tttp -126.39 156.29 40.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.665 0.603 . . . . 0.0 110.406 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 65.8 t -138.06 139.1 42.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 124.619 1.168 . . . . 0.0 109.145 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -158.12 172.55 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 112.085 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 103.97 20.05 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.41 2.684 . . . . 0.0 111.741 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 173.38 0.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -89.34 168.12 12.49 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 123.079 0.551 . . . . 0.0 110.973 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 6.94 0.85 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 111.666 176.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -128.71 -9.05 5.03 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.983 0.913 . . . . 0.0 111.816 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 26' ' ' SER . 89.5 m -67.51 163.32 21.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.672 0.389 . . . . 0.0 110.473 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.409 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 54.6 m -144.68 160.87 45.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 C-N-CA 123.953 0.901 . . . . 0.0 109.106 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 55.9 Cg_endo -69.14 -20.15 38.16 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.196 1.931 . . . . 0.0 111.994 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.73 -32.74 35.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.75 0.704 . . . . 0.0 111.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -47.08 68.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.16 -23.97 66.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.724 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -65.42 -41.23 93.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.055 -0.403 . . . . 0.0 110.104 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -84.75 -39.96 17.85 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 122.354 0.262 . . . . 0.0 110.747 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.03 -35.32 51.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 123.142 0.577 . . . . 0.0 111.41 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -100.11 -11.5 20.45 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.66 -29.0 67.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.75 -21.46 60.19 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -83.14 -17.32 43.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.29 0.236 . . . . 0.0 111.331 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.25 -159.01 27.04 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -61.19 87.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.398 1.479 . . . . 0.0 112.541 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.54 61.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.11 -14.22 31.26 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.037 1.303 . . . . 0.0 113.427 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 2.8 t0 -151.21 162.94 39.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.765 0.782 . . . . 0.0 109.208 172.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 7.1 p -158.18 29.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -169.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.37 157.49 29.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -167.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.61 92.24 6.57 Favored Pre-proline 0 C--N 1.333 -0.11 0 C-N-CA 126.817 2.047 . . . . 0.0 106.155 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.59 21.99 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 1 C-N-CA 125.37 4.047 . . . . 0.0 115.754 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -49.53 145.56 4.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.582 1.083 . . . . 0.0 109.269 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -40.65 121.98 1.57 Allowed 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 111.988 -169.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -70.34 12.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -137.25 -19.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.7 p -141.47 -2.41 1.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 37.56 55.73 1.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.364 1.466 . . . . 0.0 113.33 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -119.73 19.82 12.43 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -128.65 32.68 4.77 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.897 0.479 . . . . 0.0 111.023 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.14 -4.72 0.85 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.77 1.228 . . . . 0.0 111.926 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.34 3.4 2.49 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.033 1.302 . . . . 0.0 114.757 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -153.8 172.95 16.54 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.175 1.488 . . . . 0.0 110.588 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.08 175.11 10.11 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.351 0.66 . . . . 0.0 111.424 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.6 62.04 0.81 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.309 1.443 . . . . 0.0 108.087 -177.516 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 13.4 t -75.85 144.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . 22.3 ttp180 -144.94 157.92 43.98 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -126.94 159.07 35.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.137 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -126.89 14.37 7.41 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.132 0.573 . . . . 0.0 112.278 -174.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.93 136.61 35.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -63.74 -29.49 70.7 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.92 -41.53 61.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.741 0.7 . . . . 0.0 110.099 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -73.14 -29.48 62.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.49 35.67 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.763 -0.586 . . . . 0.0 110.424 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.76 -38.6 64.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.493 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.14 72.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.534 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.35 -29.43 20.3 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.643 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.98 -8.26 47.52 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.236 -0.29 . . . . 0.0 111.248 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.34 -7.17 2.95 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB2' HG21 ' A' ' 87' ' ' VAL . 3.9 mmt -123.92 -16.53 6.57 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.49 58.71 1.04 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.722 1.147 . . . . 0.0 111.639 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.48 -4.7 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.904 0.764 . . . . 0.0 112.182 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -177.23 1.02 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.703 0.801 . . . . 0.0 111.972 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.8 t -131.88 135.77 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.807 0.843 . . . . 0.0 108.963 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tt -92.81 -50.74 5.42 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.643 0.377 . . . . 0.0 110.423 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.85 -1.78 0.57 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.967 0.507 . . . . 0.0 112.095 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.09 -6.26 0.16 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 118.75 0.705 . . . . 0.0 113.727 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -115.77 -165.93 1.09 Allowed 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.283 1.042 . . . . 0.0 109.19 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.85 168.0 9.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -173.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.5 mt -129.5 157.85 40.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -135.38 136.51 41.51 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 75' ' ' MET . 55.5 t -148.18 119.79 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -160.61 168.38 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.041 0.536 . . . . 0.0 109.818 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.98 149.4 49.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.103 0.478 . . . . 0.0 111.418 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.32 -176.8 5.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.523 0.729 . . . . 0.0 112.395 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -139.85 177.33 8.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.02 0.928 . . . . 0.0 110.491 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 50.87 -163.05 0.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.973 0.909 . . . . 0.0 112.178 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.67 -33.76 0.37 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 146.1 11.89 Favored Pre-proline 0 N--CA 1.44 -0.961 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 169.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -58.0 117.18 3.85 Favored 'Trans proline' 0 N--CA 1.453 -0.856 1 C-N-CA 125.743 4.295 . . . . 0.0 111.097 174.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.61 -1.16 11.36 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 124.149 3.233 . . . . 0.0 112.066 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -120.88 25.01 9.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.232 0.153 0 C-N-CA 122.758 0.423 . . . . 0.0 111.003 -179.438 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.89 170.09 39.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.4 ptm180 -64.94 150.05 95.67 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.577 0.751 . . . . 0.0 111.245 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 50.6 Cg_exo -54.16 160.19 6.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.926 3.751 . . . . 0.0 112.323 173.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.88 158.32 57.19 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.546 2.164 . . . . 0.0 110.193 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.55 20.64 0.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.952 3.768 . . . . 0.0 113.037 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.26 11.42 3.54 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.832 0.742 . . . . 0.0 111.972 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.92 -11.46 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.859 -0.525 . . . . 0.0 111.521 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.58 -0.49 26.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.965 0.506 . . . . 0.0 111.459 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 30.56 0.44 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -143.4 162.92 34.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.227 0.611 . . . . 0.0 109.927 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -56.27 152.25 11.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.076 0.55 . . . . 0.0 110.779 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 m -149.0 53.23 0.97 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.491 0.716 . . . . 0.0 110.058 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.8 tm? -68.77 98.59 0.93 Allowed 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.553 0.741 . . . . 0.0 109.895 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 40.4 tttp -81.07 155.24 26.41 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.497 0.719 . . . . 0.0 111.411 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 71.9 t -135.48 136.03 51.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.599 1.16 . . . . 0.0 108.738 176.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -157.32 -178.31 7.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 112.721 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t30 82.67 1.17 1.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.35 2.26 . . . . 0.0 114.456 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.907 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.47 173.53 0.26 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.749 0.82 . . . . 0.0 112.952 176.268 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 p -71.28 167.97 18.32 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 121.785 0.803 . . . . 0.0 112.586 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -76.33 11.19 1.64 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.138 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -127.6 -10.51 5.62 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.839 0.856 . . . . 0.0 111.55 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -69.05 164.7 21.84 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 64.4 m -138.39 163.26 48.48 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 66.6 Cg_endo -71.44 -21.19 26.5 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 121.857 1.705 . . . . 0.0 110.943 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.25 -33.33 63.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.316 -0.24 . . . . 0.0 110.947 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -38.02 61.93 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -71.82 -39.76 69.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.38 -44.11 68.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -71.1 -55.71 7.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 34' ' ' PHE . 13.6 p -66.88 -25.97 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -173.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.542 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.5 m-85 -89.5 -14.86 34.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.991 0.36 . . . . 0.0 111.025 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -59.22 -22.14 60.61 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -85.3 -20.85 29.39 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.844 -0.535 . . . . 0.0 112.083 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -82.22 -18.79 41.34 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 122.292 0.237 . . . . 0.0 110.548 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.23 -157.02 27.26 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-O 122.082 0.823 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -67.11 86.87 0.15 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 112.044 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.0 p -71.87 53.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 167.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.99 -13.29 13.54 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.04 1.305 . . . . 0.0 113.753 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -154.89 154.69 33.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.407 1.104 . . . . 0.0 109.261 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.01 132.43 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -146.67 161.2 41.07 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mt -145.77 90.98 5.75 Favored Pre-proline 0 C--O 1.232 0.157 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.0 -28.11 85.79 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.632 2.888 . . . . 0.0 114.414 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 30.6 ptt180 21.91 -101.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.114 1.766 . . . . 0.0 110.985 -172.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.544 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 14.2 m-20 -143.1 127.01 17.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 169.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.32 8.36 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -143.66 -14.06 0.66 Allowed 'General case' 0 C--N 1.339 0.128 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.9 p -138.76 -5.27 1.53 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 38.37 28.23 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.471 1.908 . . . . 0.0 115.296 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.43 12.01 11.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' GLY . 42.9 m -132.68 37.3 3.48 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.211 0.459 . . . . 0.0 112.006 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -65.48 8.24 0.18 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.898 0.879 . . . . 0.0 112.606 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -72.14 8.38 6.66 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.297 0.951 . . . . 0.0 113.684 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -157.44 177.22 11.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.449 1.124 . . . . 0.0 110.431 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.1 -173.47 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.051 0.54 . . . . 0.0 110.895 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.58 58.46 1.06 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.447 1.499 . . . . 0.0 107.634 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 15.4 t -66.72 148.73 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 174.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 16.1 ttp180 -143.68 143.78 31.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 119.057 0.844 . . . . 0.0 113.076 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -115.79 156.94 25.14 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.633 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -122.52 13.14 10.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.563 0.745 . . . . 0.0 112.462 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -140.74 136.02 32.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.86 -23.0 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.14 -40.54 67.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.276 0.943 . . . . 0.0 109.94 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.36 -30.71 60.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.1 74.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.724 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.07 -33.26 71.68 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -73.22 -39.52 65.45 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.54 0.609 . . . . 0.0 110.689 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.76 72.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.956 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -87.99 -28.41 21.45 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.639 0.654 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.39 -9.18 52.39 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.377 -0.202 . . . . 0.0 111.254 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.3 -4.49 3.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.489 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.4 mmt -124.35 -22.89 4.6 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.086 0.857 . . . . 0.0 113.213 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.57 125.71 27.04 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.942 1.246 . . . . 0.0 109.818 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.8 3.45 83.93 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.817 -0.435 . . . . 0.0 112.118 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 -177.08 1.3 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.684 0.742 . . . . 0.0 111.522 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.1 t -141.1 148.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 108.997 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -139.71 -7.39 1.27 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -155.85 7.97 0.24 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.341 0.518 . . . . 0.0 112.211 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.9 36.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -112.67 -149.98 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.552 0.741 . . . . 0.0 109.034 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -124.49 164.94 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.401 0.68 . . . . 0.0 109.479 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.428 HD21 HD22 ' A' ' 80' ' ' LEU . 88.7 mt -136.05 156.27 48.97 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -141.83 142.67 33.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.065 0.459 . . . . 0.0 111.227 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.527 ' CG1' HD11 ' A' ' 16' ' ' LEU . 57.2 t -152.82 123.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.598 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -167.55 162.77 14.51 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 122.598 0.359 . . . . 0.0 110.111 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.0 151.81 41.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.2 172.9 2.77 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.65 0.38 . . . . 0.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -135.95 -5.77 2.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -132.34 174.71 9.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.537 0.735 . . . . 0.0 110.445 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.39 11.51 26.14 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.744 -1.031 . . . . 0.0 111.981 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 118.3 154.17 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.278 0 C-N-CA 130.511 3.524 . . . . 0.0 109.696 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -47.61 128.74 15.9 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.47 3.447 . . . . 0.0 111.642 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -79.13 -11.7 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.347 2.698 . . . . 0.0 111.973 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -157.28 31.35 0.29 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.826 0.45 . . . . 0.0 110.696 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 124.494 1.117 . . . . 0.0 111.57 -174.278 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 121.821 0.82 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 19.07 0.37 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -152.02 131.46 6.8 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.9 120.17 5.68 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.445 2.764 . . . . 0.0 112.12 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.1 169.09 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.865 3.043 . . . . 0.0 109.87 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.52 156.85 60.5 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.234 2.623 . . . . 0.0 109.549 173.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -154.96 11.48 0.36 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.62 -2.89 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.0 -9.58 58.26 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.578 -0.701 . . . . 0.0 112.022 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.62 28.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.555 -0.58 . . . . 0.0 111.662 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -138.09 -175.48 4.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.162 0.585 . . . . 0.0 110.688 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -123.29 -173.07 2.64 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.056 0.942 . . . . 0.0 108.696 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -149.24 126.58 11.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.922 -0.487 . . . . 0.0 110.805 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.25 111.9 15.78 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.171 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 50.5 tttp -77.77 142.52 38.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 123.82 0.7 . . . . 0.0 111.291 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 60' ' ' VAL . 50.3 t -128.14 134.4 65.12 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -152.15 -172.79 4.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.577 1.151 . . . . 0.0 112.3 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.49 89.85 0.07 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 112.499 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.8 pp -139.4 171.85 13.66 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.932 0.493 . . . . 0.0 112.002 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.0 p -67.02 164.38 17.9 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 121.188 0.518 . . . . 0.0 111.572 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.48 12.14 0.38 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 0.0 111.295 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -128.13 -16.73 4.47 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.253 0.621 . . . . 0.0 112.311 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.7 m -65.16 160.72 20.64 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.571 0.623 . . . . 0.0 109.59 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 11.7 p -141.98 167.49 16.57 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.609 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 59.0 Cg_endo -68.79 -19.27 41.23 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.386 2.058 . . . . 0.0 111.6 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.17 -32.17 44.14 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -52.7 39.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 21' ' ' LEU . 60.2 mt -61.83 -35.04 77.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.5 tpt180 -57.96 -42.95 86.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -86.07 -37.43 18.87 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 122.985 0.514 . . . . 0.0 111.668 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.9 -33.86 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 110.828 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 41.3 m-85 -106.43 -11.13 16.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.569 0.348 . . . . 0.0 111.864 -174.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' ARG . 23.1 tt0 -69.07 -20.85 64.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.231 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.06 -18.97 62.54 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 122.062 -0.399 . . . . 0.0 111.746 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.41 -16.87 35.9 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.702 0.801 . . . . 0.0 110.97 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.73 -172.58 23.56 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -66.99 113.02 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.25 -6.47 3.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.49 -60.96 0.64 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 125.814 1.674 . . . . 0.0 113.313 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -152.45 169.84 21.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 109.495 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.0 t -143.91 137.25 24.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -151.62 163.16 39.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.17 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.2 mt -144.33 100.43 4.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -54.65 20.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 1 C-N-CA 126.923 5.082 . . . . 0.0 116.877 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -47.1 122.72 4.68 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.68 131.95 25.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.113 0.482 . . . . 0.0 111.125 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -67.07 -4.92 11.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.802 1.241 . . . . 0.0 113.692 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -144.0 -11.1 0.66 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -135.52 -4.0 2.33 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 118.422 0.555 . . . . 0.0 111.814 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 46.88 19.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.612 1.565 . . . . 0.0 114.829 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 15.58 0.1 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -134.58 17.91 3.61 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.488 0.585 . . . . 0.0 111.297 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -11.52 27.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.981 0.913 . . . . 0.0 111.937 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.97 4.23 58.48 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.161 -0.8 . . . . 0.0 114.373 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -154.74 -175.13 5.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 1.442 . . . . 0.0 110.974 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.2 -176.72 5.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.247 0.546 . . . . 0.0 111.882 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.47 71.51 0.94 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 109.235 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 18' ' ' VAL . 1.3 m -69.32 163.05 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -147.57 84.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.858 0.754 . . . . 0.0 112.689 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.75 148.13 47.67 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -104.77 -8.66 18.64 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.923 0.765 . . . . 0.0 112.258 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -127.45 132.01 50.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.431 0.634 . . . . 0.0 109.774 -175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -67.89 -27.14 66.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.569 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -71.18 -43.11 68.1 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 118.618 0.645 . . . . 0.0 110.186 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -71.85 -28.46 63.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.27 -40.7 43.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.52 -32.19 71.97 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.832 -0.542 . . . . 0.0 110.857 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -73.44 -39.26 65.13 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.377 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.291 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -88.57 -28.17 20.9 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.515 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.75 -10.0 59.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.097 0.159 . . . . 0.0 111.371 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.29 -6.7 4.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.9 mmt -119.95 -23.35 6.42 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.01 122.19 17.21 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 120.177 1.353 . . . . 0.0 110.21 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.34 3.09 81.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.226 0.441 . . . . 0.0 112.112 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.32 -173.47 1.71 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.502 0.651 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.8 t -137.65 147.58 26.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.793 0.837 . . . . 0.0 109.993 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 82' ' ' GLY . 19.2 tp -148.37 119.76 7.89 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.348 1.059 . . . . 0.0 108.285 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t70 62.7 -11.26 0.08 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.855 0.862 . . . . 0.0 112.906 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 131.84 -3.56 5.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 118.476 0.58 . . . . 0.0 111.975 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HD2' HD21 ' A' ' 85' ' ' LEU . 18.4 ptp180 -74.93 -163.75 0.24 Allowed 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 124.46 1.104 . . . . 0.0 111.743 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.94 158.08 29.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 83' ' ' ARG . 75.7 mt -132.52 150.4 52.16 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -176.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 27.1 mmt180 -142.85 135.13 27.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.175 0.59 . . . . 0.0 110.215 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -151.77 124.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 123.848 0.859 . . . . 0.0 108.741 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -163.02 165.15 25.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.37 145.98 52.5 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.49 0.316 . . . . 0.0 110.315 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.94 9.85 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 111.371 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -146.11 -175.57 4.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.374 0.669 . . . . 0.0 110.94 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 56.26 -169.62 0.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.689 1.195 . . . . 0.0 112.91 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.92 43.16 1.3 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.894 -1.283 . . . . 0.0 109.894 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 67.03 151.85 0.12 Allowed Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.523 1.929 . . . . 0.0 112.486 -174.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.23 120.55 5.75 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 125.3 4.0 . . . . 0.0 112.565 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -85.0 -15.73 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.452 2.768 . . . . 0.0 113.128 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -155.27 15.89 0.4 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.243 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.64 169.8 42.81 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -56.52 152.51 24.64 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 123.66 0.784 . . . . 0.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.19 159.69 52.21 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.403 3.402 . . . . 0.0 110.466 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.06 153.16 12.91 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.654 2.903 . . . . 0.0 112.488 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.25 9.71 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 124.237 3.292 . . . . 0.0 112.193 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 11' ' ' GLU . 27.1 t0 -139.27 24.22 2.51 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.773 -0.579 . . . . 0.0 111.527 -173.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.0 12.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.164 0.585 . . . . 0.0 112.057 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 9' ' ' ASP . 37.1 mt-10 -124.68 11.21 8.47 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.783 0.833 . . . . 0.0 109.793 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.32 17.9 2.09 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.075 0.845 . . . . 0.0 111.509 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.3 mtm -140.34 172.6 12.5 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.713 0.805 . . . . 0.0 110.014 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -63.52 159.25 19.03 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -150.76 125.75 9.84 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 98.17 5.01 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.175 0.297 . . . . 0.0 110.917 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 51.0 tttp -66.37 148.98 51.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.851 0.86 . . . . 0.0 111.031 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.406 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.5 t -133.66 131.87 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.89 -169.28 3.29 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.456 1.102 . . . . 0.0 111.101 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 53.7 98.34 0.01 OUTLIER 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.383 1.473 . . . . 0.0 111.975 -170.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -146.22 175.25 10.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.461 0.704 . . . . 0.0 110.96 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -83.28 168.91 16.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.404 0.621 . . . . 0.0 111.538 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.29 8.22 1.08 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.26 0.624 . . . . 0.0 111.229 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.62 -8.88 5.64 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 111.925 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -68.37 161.83 26.63 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -142.78 161.02 51.28 Favored Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 122.671 0.388 . . . . 0.0 110.098 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.39 -21.11 35.69 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.786 1.657 . . . . 0.0 111.376 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.32 -36.28 68.84 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.943 0.338 . . . . 0.0 110.562 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -66.86 -52.49 42.89 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.285 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 mt -58.24 -30.09 66.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.536 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.26 -47.03 86.16 Favored 'General case' 0 C--O 1.225 -0.229 0 O-C-N 122.052 -0.405 . . . . 0.0 110.147 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.663 0.665 . . . . 0.0 112.401 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 30' ' ' LEU . 14.9 m -63.76 -24.44 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.646 0.778 . . . . 0.0 111.526 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' HG23 ' A' ' 33' ' ' VAL . 47.3 m-85 -102.86 -16.89 15.76 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.85 -24.79 67.88 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.271 0.941 . . . . 0.0 111.292 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.25 -19.7 64.75 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -80.69 -11.72 59.58 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 122.975 0.51 . . . . 0.0 111.135 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.11 -82.3 0.15 Allowed Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -159.05 123.99 4.15 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 -21.45 15.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.677 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.73 -49.65 1.38 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.993 1.282 . . . . 0.0 112.103 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -155.46 158.98 39.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.724 1.21 . . . . 0.0 107.974 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.83 116.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -143.88 159.01 43.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -144.21 94.37 5.77 Favored Pre-proline 0 CA--C 1.53 0.208 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 174.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -79.79 18.19 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 124.636 3.558 . . . . 0.0 113.248 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 19.7 ptt180 -31.06 -66.51 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.354 1.462 . . . . 0.0 113.508 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.0 t70 -160.86 128.48 4.32 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 169.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.65 9.17 1.92 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -173.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -138.05 -22.77 1.05 Allowed 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.9 0.773 . . . . 0.0 112.864 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -133.54 -12.31 2.7 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -174.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 43.15 39.72 2.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.082 1.353 . . . . 0.0 114.165 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -89.01 -23.36 22.63 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 m -82.26 40.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 111.991 -175.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -58.95 0.18 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.355 1.462 . . . . 0.0 113.365 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.09 -1.81 28.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.26 -0.9 . . . . 0.0 114.858 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -154.07 -176.32 5.8 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.301 1.551 . . . . 0.0 112.322 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.69 -178.65 7.0 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.632 0.773 . . . . 0.0 111.171 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -153.66 63.37 0.73 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.294 1.438 . . . . 0.0 109.06 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 17.1 t -69.42 150.04 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 169.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -145.5 104.17 3.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 119.838 1.199 . . . . 0.0 111.931 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -72.98 164.25 26.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -128.93 5.58 5.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -132.39 131.36 41.75 Favored 'General case' 0 C--N 1.339 0.128 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.11 -30.19 71.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.68 -43.34 66.18 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.763 0.71 . . . . 0.0 110.158 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -77.0 -24.76 52.18 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.75 39.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.342 0.257 . . . . 0.0 111.502 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.67 -32.01 71.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.431 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.78 -38.8 64.54 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.933 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.23 74.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 122.404 -0.185 . . . . 0.0 111.11 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -87.84 -29.08 21.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.06 -10.25 58.08 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.221 0.209 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.46 -7.55 4.69 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.8 mmt -119.65 -24.01 6.37 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.59 125.42 26.11 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 119.909 1.231 . . . . 0.0 109.746 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.78 1.62 84.29 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.508 -0.607 . . . . 0.0 112.532 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.24 1.05 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 117.717 0.758 . . . . 0.0 111.257 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.52 145.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 123.618 0.767 . . . . 0.0 109.04 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.95 -57.42 2.19 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 122.927 0.491 . . . . 0.0 110.83 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -131.54 -4.86 3.72 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -15.26 0.9 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -91.43 -158.15 0.55 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 117.572 0.686 . . . . 0.0 109.681 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -113.77 166.73 11.27 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.0 mt -131.72 155.49 47.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -140.95 139.62 34.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.024 0.44 . . . . 0.0 111.157 -175.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -152.11 124.67 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.231 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -161.92 166.49 26.1 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 117.745 0.248 . . . . 0.0 110.895 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.09 147.8 51.34 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.26 0.224 . . . . 0.0 110.588 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.61 176.64 7.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.253 0.221 . . . . 0.0 110.726 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -132.66 -7.59 3.21 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -134.37 174.43 10.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.447 0.699 . . . . 0.0 109.875 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.19 -44.69 2.33 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -175.1 153.26 1.55 Allowed Pre-proline 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.634 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.05 148.34 89.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 1 C-N-CA 125.495 4.13 . . . . 0.0 112.285 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.97 -9.94 16.72 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 124.275 3.317 . . . . 0.0 112.254 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.61 158.98 40.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.229 0.612 . . . . 0.0 109.697 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.232 0.159 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.752 0.31 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 175.09 36.86 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -56.54 153.99 18.82 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.093 0.957 . . . . 0.0 112.451 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.8 157.8 5.22 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.749 3.633 . . . . 0.0 112.014 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.94 160.54 4.05 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.164 3.243 . . . . 0.0 112.124 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.75 167.29 26.97 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.008 2.472 . . . . 0.0 110.067 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 54.82 21.1 3.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.558 1.143 . . . . 0.0 112.362 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.6 -19.32 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.748 0.308 . . . . 0.0 111.439 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.97 1.61 8.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 0.0 111.238 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.89 22.01 3.49 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.04 0.828 . . . . 0.0 111.956 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mtm -137.9 165.22 27.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.202 0.601 . . . . 0.0 110.359 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 t -75.68 175.61 8.47 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.45 132.51 17.25 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.029 0.931 . . . . 0.0 108.699 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 10.7 tp -130.12 95.96 4.06 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.932 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -66.52 150.65 48.65 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.791 1.236 . . . . 0.0 111.349 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 95.1 t -135.47 138.21 48.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.55 1.14 . . . . 0.0 108.69 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.95 -178.83 7.51 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.551 0.74 . . . . 0.0 112.715 -173.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 80.82 13.6 0.75 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.386 1.874 . . . . 0.0 114.549 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -59.06 176.7 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.107 0.867 . . . . 0.0 112.35 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 p -82.24 172.06 13.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.288 0.566 . . . . 0.0 111.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -79.73 9.83 4.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.513 0.725 . . . . 0.0 110.699 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -126.02 -16.74 5.5 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.69 0.796 . . . . 0.0 112.046 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.1 m -78.27 164.7 24.65 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -137.22 159.92 67.8 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -65.59 -17.22 56.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.62 2.213 . . . . 0.0 111.944 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.01 -32.68 45.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -47.86 66.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.9 -29.39 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.49 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 tpt85 -63.33 -41.6 98.9 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -84.65 -38.74 19.45 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 122.049 -0.407 . . . . 0.0 110.819 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.3 -33.83 55.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 123.792 0.837 . . . . 0.0 111.407 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.1 m-85 -101.98 -11.08 19.21 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.085 0.402 . . . . 0.0 111.876 -176.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.51 -30.34 70.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.5 -20.7 61.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.51 -13.7 59.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.486 -0.293 . . . . 0.0 110.911 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.01 -62.73 0.47 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.941 169.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -152.27 93.68 1.84 Allowed 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 122.049 0.928 . . . . 0.0 112.389 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -78.31 63.56 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.56 -32.82 2.08 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.721 1.153 . . . . 0.0 111.982 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.03 171.17 16.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.391 0.595 . . . . 0.0 109.872 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.79 138.56 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.434 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -147.13 166.85 25.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 47' ' ' ARG . 23.0 mt -140.96 102.26 6.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.7 16.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.4 1 C-N-CA 126.634 4.89 . . . . 0.0 116.435 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 45' ' ' ILE . 56.2 ttp180 -48.61 131.5 17.61 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.96 128.73 28.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.058 0.456 . . . . 0.0 110.672 -174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -75.55 5.8 5.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.615 1.166 . . . . 0.0 113.162 -171.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -140.65 -16.54 0.9 Allowed 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.0 p -136.66 -5.05 1.99 Allowed 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.172 0.442 . . . . 0.0 111.886 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 46.45 24.99 0.34 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.421 1.488 . . . . 0.0 114.171 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.18 13.28 1.52 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -132.16 25.16 4.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.618 0.644 . . . . 0.0 111.48 -174.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -70.36 2.76 3.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.535 1.134 . . . . 0.0 112.882 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.09 -1.56 90.03 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-O 118.942 -0.921 . . . . 0.0 113.934 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.11 -176.05 5.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.937 1.368 . . . . 0.0 111.262 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.02 -176.41 4.99 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.201 0.601 . . . . 0.0 112.02 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -147.3 59.33 1.16 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.319 1.448 . . . . 0.0 108.941 -177.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 12.7 t -68.17 152.27 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 14.0 ttp-105 -143.89 141.36 30.25 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -108.31 165.63 11.36 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.876 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -135.27 13.13 3.54 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.478 0.711 . . . . 0.0 112.518 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.52 135.88 33.92 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.16 -36.24 79.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -70.34 -41.61 72.97 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.652 0.66 . . . . 0.0 110.188 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -77.44 -27.66 52.27 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -36.55 50.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.14 -32.98 71.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.011 0.368 . . . . 0.0 110.528 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -73.02 -38.78 66.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.433 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.87 71.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.789 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -91.79 -26.44 18.55 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.989 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.08 -7.23 47.75 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.326 0.25 . . . . 0.0 111.086 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.27 -7.35 2.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 mmt -120.45 -22.5 6.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.947 0.794 . . . . 0.0 112.829 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.29 126.52 28.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.003 1.274 . . . . 0.0 109.888 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.82 3.25 83.71 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.799 -0.445 . . . . 0.0 112.301 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -175.36 0.92 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.714 0.757 . . . . 0.0 111.031 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.74 146.24 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.409 0.684 . . . . 0.0 109.176 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -108.15 -52.7 2.73 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.677 0.391 . . . . 0.0 109.958 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.73 -3.51 1.28 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.95 -16.21 0.61 Allowed Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.541 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -93.64 -160.88 0.8 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.778 0.789 . . . . 0.0 109.668 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -109.94 168.3 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.93 155.47 50.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -141.65 148.72 39.61 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.305 0.574 . . . . 0.0 110.805 -173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -164.28 131.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.495 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -165.36 169.71 15.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.388 0.675 . . . . 0.0 109.836 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.6 mmt -64.11 151.44 43.17 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.776 0.322 . . . . 0.0 110.664 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.84 175.19 5.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.842 0.457 . . . . 0.0 111.573 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -125.85 -8.14 6.68 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.235 0.614 . . . . 0.0 112.195 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -150.18 176.68 10.62 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-N 118.318 0.508 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.46 20.45 20.79 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 117.75 147.38 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.227 0 C-N-CA 131.307 3.843 . . . . 0.0 109.387 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 32.5 Cg_endo -60.21 143.28 99.53 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 124.528 3.485 . . . . 0.0 110.734 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 62.0 Cg_exo -53.44 -26.78 37.16 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.28 3.32 . . . . 0.0 113.81 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -155.88 170.35 22.3 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.331 -0.227 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -172.685 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.586 0.707 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.68 165.41 38.64 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -58.37 148.38 64.31 Favored Pre-proline 0 N--CA 1.452 -0.352 0 CA-C-N 117.356 0.578 . . . . 0.0 111.005 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.62 156.86 62.56 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.615 2.877 . . . . 0.0 109.45 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.87 153.76 58.51 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.774 2.316 . . . . 0.0 110.779 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.07 12.95 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.498 3.465 . . . . 0.0 112.079 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -139.26 16.88 2.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.767 0.427 . . . . 0.0 110.944 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.36 -21.28 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 122.981 0.512 . . . . 0.0 111.362 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.53 2.28 10.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.565 0.746 . . . . 0.0 111.296 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.58 25.53 2.71 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.129 0.871 . . . . 0.0 111.081 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.2 mtp -134.0 160.64 37.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.783 0.833 . . . . 0.0 109.386 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -69.41 164.62 22.6 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.9 p -152.85 138.37 17.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.084 0.554 . . . . 0.0 109.522 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 87' ' ' VAL . 9.0 tp -142.76 93.71 2.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.351 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.8 tttp -61.29 150.65 34.18 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 123.934 0.894 . . . . 0.0 111.395 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 61.2 t -135.55 133.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.705 1.202 . . . . 0.0 107.806 174.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -154.78 -173.75 4.7 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t30 72.9 1.65 4.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.158 2.183 . . . . 0.0 114.805 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.835 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -56.37 170.7 0.34 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.434 0.694 . . . . 0.0 112.788 175.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -74.09 169.32 17.76 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.734 0.778 . . . . 0.0 112.541 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -77.42 10.13 2.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.751 0.82 . . . . 0.0 111.044 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -125.76 -8.01 6.74 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.027 0.931 . . . . 0.0 111.515 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -65.17 166.85 9.01 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 75.3 m -138.22 163.1 49.9 Favored Pre-proline 0 N--CA 1.456 -0.16 0 O-C-N 121.882 -0.511 . . . . 0.0 111.324 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.5 Cg_endo -69.82 -27.56 26.06 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.434 2.089 . . . . 0.0 111.413 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.42 -29.97 59.9 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.523 0.147 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -72.09 -56.59 5.35 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' A' ' 33' ' ' VAL . 20.6 mt -58.66 -29.0 66.24 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.593 -173.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HD2' HG11 ' A' ' 40' ' ' VAL . 13.1 tpt180 -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.688 174.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm105 -89.83 -41.81 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.369 0.531 . . . . 0.0 112.336 -172.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.3 m -64.95 -22.26 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.815 0.846 . . . . 0.0 111.288 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 47.5 m-85 -104.72 -19.06 14.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.51 -23.79 67.39 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.699 0.681 . . . . 0.0 110.43 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.34 -21.43 62.05 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.818 0.447 . . . . 0.0 111.92 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.68 -14.01 61.08 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 122.477 0.311 . . . . 0.0 110.644 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.92 -74.79 0.18 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.72 119.16 5.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG11 ' HD2' ' A' ' 31' ' ' ARG . 8.7 p -56.59 -19.73 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.178 0.591 . . . . 0.0 111.254 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 -58.4 2.47 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 125.016 1.293 . . . . 0.0 111.879 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -162.34 164.55 27.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.523 1.129 . . . . 0.0 108.298 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.6 p -150.78 134.37 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -146.49 156.86 43.58 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.37 94.65 5.63 Favored Pre-proline 0 N--CA 1.456 -0.147 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -62.25 -25.74 76.96 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.73 2.953 . . . . 0.0 114.665 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 27.5 ptt180 20.93 -97.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.791 1.636 . . . . 0.0 111.635 -171.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.2 t70 -153.79 129.3 9.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -75.32 10.08 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -171.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -134.47 -17.08 2.04 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.882 0.765 . . . . 0.0 112.361 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 p -133.99 -12.56 2.53 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 122.767 0.427 . . . . 0.0 111.67 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 36.88 44.23 0.34 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.143 1.777 . . . . 0.0 113.825 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.02 27.97 5.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.837 0.455 . . . . 0.0 111.669 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' GLY . 51.0 m -128.47 35.42 4.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.439 0.695 . . . . 0.0 110.652 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -66.68 15.87 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.901 1.28 . . . . 0.0 112.125 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -67.83 -0.87 15.19 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.606 -0.684 . . . . 0.0 113.14 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -155.78 177.58 11.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.01 0.905 . . . . 0.0 109.964 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.62 -175.32 4.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.675 0.75 . . . . 0.0 110.998 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.24 62.74 1.03 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.474 1.51 . . . . 0.0 107.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -68.34 144.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 106.014 -1.846 . . . . 0.0 106.014 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -143.71 105.06 4.27 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 120.323 1.419 . . . . 0.0 112.527 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.61 167.45 21.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -138.9 12.0 2.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.86 137.3 43.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.06 -34.9 79.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -67.23 -40.71 86.36 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.704 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.08 -16.85 28.84 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.19 -37.53 57.72 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.404 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.07 -34.2 68.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.116 -0.365 . . . . 0.0 110.449 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.27 -40.81 70.73 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.082 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.71 85.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.264 -0.273 . . . . 0.0 110.774 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -81.1 -29.32 34.92 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.349 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.54 -10.44 58.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.218 -0.301 . . . . 0.0 111.404 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.8 -6.29 3.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.413 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.4 mmt -122.63 -25.12 4.76 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.37 123.3 19.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.772 1.169 . . . . 0.0 109.461 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.8 1.95 90.62 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.7 -173.02 0.7 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.378 0.589 . . . . 0.0 111.3 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -134.17 148.46 30.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.67 -52.89 2.75 Favored 'General case' 0 C--N 1.339 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -139.96 -4.32 1.37 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.4 -13.81 0.71 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 122.088 -0.383 . . . . 0.0 112.253 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -90.95 -156.92 0.46 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.043 0.537 . . . . 0.0 109.806 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -115.36 166.65 11.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.588 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.03 160.91 36.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mmt-85 -143.09 139.81 30.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.294 0.237 . . . . 0.0 110.391 -173.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 18' ' ' VAL . 60.8 t -150.52 121.25 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.39 167.51 25.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.738 0.415 . . . . 0.0 110.089 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.4 149.58 37.96 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.536 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 177.48 7.56 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.845 0.458 . . . . 0.0 112.143 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -135.88 171.88 13.83 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.098 0.959 . . . . 0.0 110.981 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 51.76 -165.18 0.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.055 1.342 . . . . 0.0 113.373 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.09 12.78 6.06 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 119.005 -0.886 . . . . 0.0 111.719 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 119.38 152.5 0.0 OUTLIER Pre-proline 0 C--N 1.346 0.414 0 C-N-CA 130.402 3.481 . . . . 0.0 110.024 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.42 109.57 0.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 1 C-N-CA 125.34 4.027 . . . . 0.0 114.448 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.44 -8.74 10.48 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.923 3.082 . . . . 0.0 112.74 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -143.36 44.4 1.53 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.255 0.622 . . . . 0.0 111.664 -174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.233 0.212 0 C-N-CA 122.671 0.388 . . . . 0.0 110.433 177.156 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.18 165.92 34.46 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -62.72 155.26 71.05 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 123.418 0.687 . . . . 0.0 111.058 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.46 154.93 7.86 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 124.353 3.369 . . . . 0.0 111.27 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.08 161.74 43.82 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.113 2.542 . . . . 0.0 110.492 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.25 169.1 23.07 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.598 2.865 . . . . 0.0 110.572 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 54.38 23.1 4.18 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.142 0.977 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.77 -20.26 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.72 0.295 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.64 3.31 6.5 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.649 0.78 . . . . 0.0 111.354 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.68 25.51 2.57 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.818 0.723 . . . . 0.0 111.657 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.6 mtm -138.41 172.27 13.15 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 117.457 0.629 . . . . 0.0 110.418 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -62.16 165.48 5.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.369 0.668 . . . . 0.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 p -150.91 52.3 0.86 Allowed 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 122.928 0.491 . . . . 0.0 110.592 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.74 149.01 51.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 10.4 pttp -128.67 166.23 19.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 118.654 0.661 . . . . 0.0 112.669 169.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 69.3 t -140.95 137.22 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.471 1.109 . . . . 0.0 109.373 -175.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -154.41 178.0 10.53 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.538 0.735 . . . . 0.0 112.57 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 t30 84.57 28.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.236 1.814 . . . . 0.0 113.967 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 177.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 112.694 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -95.87 169.1 10.23 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 122.889 0.476 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -69.93 6.72 1.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.211 0.604 . . . . 0.0 111.823 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -128.06 -6.66 5.48 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.992 0.917 . . . . 0.0 111.586 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.3 m -71.81 163.95 26.89 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -143.17 160.82 50.91 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 123.58 0.752 . . . . 0.0 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.67 -17.68 33.26 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 121.669 1.579 . . . . 0.0 110.852 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.38 -43.3 64.18 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 122.151 -0.343 . . . . 0.0 110.329 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -65.37 -52.04 56.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.288 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HA ' HG22 ' A' ' 33' ' ' VAL . 40.6 mt -57.88 -28.06 63.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.277 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.13 -48.9 74.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.715 0.689 . . . . 0.0 109.838 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.21 -42.87 20.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.4 m -66.64 -23.48 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.587 0.755 . . . . 0.0 111.265 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.8 -16.76 19.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.423 0.556 . . . . 0.0 112.335 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.68 -22.71 62.34 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.227 0.467 . . . . 0.0 111.786 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -75.21 -22.04 58.23 Favored 'General case' 0 C--N 1.337 0.055 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -83.54 -17.38 42.02 Favored 'General case' 0 CA--C 1.523 -0.09 0 C-N-CA 122.535 0.334 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.27 -160.01 27.79 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -60.7 90.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.523 1.529 . . . . 0.0 112.363 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.8 p -72.84 54.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.058 1.343 . . . . 0.0 107.479 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.54 -12.78 6.74 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 125.034 1.302 . . . . 0.0 113.466 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.63 146.68 27.42 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.817 0.809 . . . . 0.0 109.657 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.1 p -155.34 117.85 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -148.46 168.0 23.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.723 -173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.73 98.37 6.41 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -55.18 13.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 1 C-N-CA 126.177 4.585 . . . . 0.0 117.072 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -58.79 158.92 7.41 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.3 0.955 . . . . 0.0 109.957 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.41 126.4 15.04 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.416 0.626 . . . . 0.0 111.15 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -67.64 -1.23 4.84 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.745 1.218 . . . . 0.0 113.0 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.85 -11.85 0.87 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -137.38 -1.83 2.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 118.117 0.417 . . . . 0.0 111.291 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.94 53.92 0.18 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.153 1.781 . . . . 0.0 113.579 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -115.06 16.13 17.09 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -128.79 28.17 5.39 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.271 0.629 . . . . 0.0 110.321 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -65.84 8.83 0.16 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.376 1.47 . . . . 0.0 112.934 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.03 -2.49 31.51 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.884 0.754 . . . . 0.0 113.365 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -155.09 -175.21 5.32 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.413 1.107 . . . . 0.0 111.238 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.74 -178.42 5.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.264 0.625 . . . . 0.0 110.521 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -149.92 68.99 1.01 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.315 0.646 . . . . 0.0 110.546 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.0 t -77.38 158.35 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 172.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.1 ttp-105 -151.94 156.37 39.93 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.198 0.908 . . . . 0.0 113.055 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -125.05 161.31 27.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.656 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -127.01 15.87 7.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -141.99 137.11 30.95 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.656 -0.652 . . . . 0.0 109.304 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.35 -30.14 71.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.27 -41.44 63.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.769 0.713 . . . . 0.0 109.718 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.96 -30.4 63.82 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.53 48.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.48 -33.19 70.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.595 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -72.82 -38.44 67.15 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.303 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.13 71.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.412 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -90.08 -28.38 19.05 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.296 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.0 -9.92 49.47 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.824 0.283 . . . . 0.0 111.352 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.72 -6.74 3.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.8 mmt -119.23 -26.29 5.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.661 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.39 124.98 25.5 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.92 1.236 . . . . 0.0 109.864 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.26 0.23 89.53 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.146 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -175.88 1.64 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.702 0.751 . . . . 0.0 110.945 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.4 144.19 35.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.76 -53.14 2.68 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.713 0.405 . . . . 0.0 110.333 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -137.64 -4.85 1.79 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.28 -10.07 0.84 Allowed Glycine 0 CA--C 1.528 0.86 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.939 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -103.01 -162.82 0.94 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.435 0.617 . . . . 0.0 109.507 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -106.07 168.45 9.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.67 151.29 51.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.8 mmt180 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -149.94 119.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.839 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -162.62 164.61 26.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.44 145.11 56.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.473 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.3 -178.13 4.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.149 0.58 . . . . 0.0 111.438 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -137.47 -9.11 1.68 Allowed 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 123.297 0.639 . . . . 0.0 112.131 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -134.07 179.17 6.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.522 0.729 . . . . 0.0 109.643 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.63 -31.58 1.22 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -156.79 142.4 12.68 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 125.153 1.381 . . . . 0.0 108.617 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.78 142.91 7.11 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 125.087 3.858 . . . . 0.0 112.177 172.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.46 -25.69 10.93 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.942 2.428 . . . . 0.0 110.271 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.99 128.84 2.03 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.242 1.017 . . . . 0.0 108.74 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.528 0.107 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.239 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.623 0.249 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 169.22 41.56 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -55.58 145.93 47.33 Favored Pre-proline 0 N--CA 1.451 -0.39 0 C-N-CA 123.764 0.825 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.14 163.32 39.59 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 124.911 3.74 . . . . 0.0 111.915 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -52.05 154.19 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 124.083 3.189 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.47 12.78 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 124.401 3.4 . . . . 0.0 112.386 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 11' ' ' GLU . 24.3 t0 -137.71 20.03 2.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.187 0.449 . . . . 0.0 111.72 -174.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.15 9.44 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 121.809 -0.557 . . . . 0.0 111.947 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 9' ' ' ASP . 38.2 mt-10 -121.02 10.28 10.74 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.875 0.87 . . . . 0.0 109.839 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 12.79 5.19 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.737 1.16 . . . . 0.0 110.855 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.1 mtm -142.46 -179.84 6.52 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.805 1.242 . . . . 0.0 108.699 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -58.3 162.36 3.67 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.6 p -149.75 46.88 0.94 Allowed 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.196 -0.315 . . . . 0.0 111.723 -172.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -65.23 151.7 45.52 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 13.8 pttp -132.98 167.72 19.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 118.523 0.602 . . . . 0.0 111.694 168.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.3 t -138.95 141.97 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.921 0.888 . . . . 0.0 109.658 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -152.66 -175.33 5.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.035 0.934 . . . . 0.0 112.118 -174.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 66.42 35.94 5.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.139 1.375 . . . . 0.0 114.11 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 179.91 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.21 0.604 . . . . 0.0 112.213 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -98.06 164.55 12.3 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.3 0.64 . . . . 0.0 111.166 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -68.5 5.32 1.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.525 0.33 . . . . 0.0 111.855 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -123.09 -8.12 8.27 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.248 1.019 . . . . 0.0 111.089 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 26' ' ' SER . 91.5 m -69.33 165.19 21.2 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' THR . 87.7 p -146.58 164.32 24.78 Favored Pre-proline 0 C--N 1.333 -0.129 0 C-N-CA 123.718 0.807 . . . . 0.0 109.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.86 -19.73 35.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 121.514 1.476 . . . . 0.0 110.497 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.19 -35.58 36.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.813 0.279 . . . . 0.0 110.381 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -66.29 -54.12 28.6 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 176.052 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HA ' HG22 ' A' ' 33' ' ' VAL . 34.1 mt -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.19 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.87 -46.88 85.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.491 0.587 . . . . 0.0 110.138 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -85.02 -43.42 13.97 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.416 0.553 . . . . 0.0 112.461 -174.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.2 m -65.47 -21.34 29.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 123.69 0.796 . . . . 0.0 111.658 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -102.8 -17.41 15.59 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.393 0.542 . . . . 0.0 111.893 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.41 -24.14 67.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.803 -0.56 . . . . 0.0 110.623 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.99 -21.36 65.96 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -78.68 -9.54 59.44 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 123.272 0.629 . . . . 0.0 110.732 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.15 -78.69 0.19 Allowed Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -166.41 120.76 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.579 1.152 . . . . 0.0 108.431 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.1 130.89 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -79.23 -21.54 67.27 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -167.65 169.38 11.91 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.908 0.883 . . . . 0.0 109.673 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.43 128.05 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.229 0.612 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.41 166.77 29.1 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -140.92 96.21 7.43 Favored Pre-proline 0 C--O 1.232 0.141 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -60.07 19.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.395 1 C-N-CA 125.841 4.361 . . . . 0.0 116.426 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -55.39 154.72 5.88 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.265 0.938 . . . . 0.0 109.983 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.11 124.62 7.93 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.661 0.384 . . . . 0.0 111.386 -174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -72.86 8.6 1.45 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -173.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -135.75 -16.31 1.76 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.389 0.541 . . . . 0.0 112.188 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -141.06 0.45 1.55 Allowed 'General case' 0 C--O 1.231 0.109 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? 35.84 36.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.136 1.775 . . . . 0.0 113.933 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.71 11.87 16.43 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' GLY . 44.5 m -131.05 29.53 4.68 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 122.818 0.447 . . . . 0.0 111.551 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.96 5.27 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.662 1.185 . . . . 0.0 111.567 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.65 -4.74 20.45 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.155 0.883 . . . . 0.0 113.741 -177.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -155.09 -176.38 5.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.201 1.001 . . . . 0.0 110.536 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.39 179.7 7.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.937 0.495 . . . . 0.0 110.718 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -146.22 73.45 1.33 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.626 0.771 . . . . 0.0 109.341 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -75.78 165.75 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 171.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -153.98 160.3 42.01 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.329 0.968 . . . . 0.0 112.077 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.459 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 31.1 m-85 -126.73 157.82 38.11 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.425 1.09 . . . . 0.0 110.014 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -132.91 12.85 4.34 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.316 0.646 . . . . 0.0 111.456 -173.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -131.38 124.6 30.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.0 -27.42 68.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -168.241 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -75.45 -39.03 59.31 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.283 0.947 . . . . 0.0 110.701 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -75.56 -27.1 58.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -40.27 62.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.427 0.291 . . . . 0.0 111.569 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -70.41 -31.27 68.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.944 -0.472 . . . . 0.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.41 -38.35 59.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.151 0.432 . . . . 0.0 110.749 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.9 72.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.113 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -88.91 -27.8 20.73 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.017 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.51 -8.95 55.19 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.623 0.192 . . . . 0.0 111.19 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.59 -7.62 3.66 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 mmt -115.91 -24.65 8.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.415 174.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.58 125.88 26.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.953 1.251 . . . . 0.0 110.169 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.53 90.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.355 -0.692 . . . . 0.0 112.368 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -179.82 1.76 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.151 0.975 . . . . 0.0 110.715 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.1 t -136.46 142.52 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 82' ' ' GLY . 52.6 tp -151.68 142.78 23.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 170.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.54 -3.99 0.07 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.338 1.455 . . . . 0.0 113.121 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.89 -2.06 31.8 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -98.26 -163.03 1.0 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.242 0.617 . . . . 0.0 109.75 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -107.03 167.47 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.0 mt -134.76 146.26 49.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 32.5 mmt180 -140.15 147.3 39.96 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.346 0.593 . . . . 0.0 111.15 -171.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.7 131.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.332 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.94 167.93 14.35 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.874 0.47 . . . . 0.0 110.085 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.25 144.75 56.42 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.956 -0.465 . . . . 0.0 110.748 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.91 177.82 4.06 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.775 0.43 . . . . 0.0 111.25 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -139.19 -9.86 1.29 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -134.26 163.52 29.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.937 0.495 . . . . 0.0 110.496 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.43 -43.92 8.26 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' HB2' ' HD2' ' A' ' 95' ' ' PRO . 3.8 ptp180 -172.67 161.17 3.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.867 1.667 . . . . 0.0 107.224 170.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 94' ' ' ARG . 37.2 Cg_endo -58.0 139.1 89.21 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 125.302 4.001 . . . . 0.0 111.58 177.692 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -83.46 -17.17 6.5 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.652 2.901 . . . . 0.0 113.928 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -155.52 18.61 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.437 1.017 . . . . 0.0 113.369 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.105 0 O-C-N 121.644 -0.66 . . . . 0.0 112.621 -178.256 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.91 167.35 38.59 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.11 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.53 151.08 62.73 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.772 0.829 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.37 155.75 12.07 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.875 3.717 . . . . 0.0 112.705 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.25 158.75 53.83 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.307 2.671 . . . . 0.0 110.072 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.58 21.7 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 124.751 3.634 . . . . 0.0 113.746 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -137.63 9.9 2.89 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.425 0.557 . . . . 0.0 112.491 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.86 -13.84 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 O-C-N 122.084 -0.385 . . . . 0.0 111.356 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -78.01 4.58 11.84 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.437 0.695 . . . . 0.0 111.548 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.38 25.12 2.63 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.77 -0.461 . . . . 0.0 112.048 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.6 mtm -140.43 172.73 12.32 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.554 0.677 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 15' ' ' SER . 34.9 m -65.86 169.35 6.7 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.589 0.756 . . . . 0.0 109.305 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' HG22 ' A' ' 14' ' ' THR . 37.0 t -153.17 125.24 7.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD21 ' CG2' ' A' ' 87' ' ' VAL . 8.8 tp -134.46 98.31 4.05 Favored 'General case' 0 N--CA 1.458 -0.074 0 O-C-N 123.083 0.239 . . . . 0.0 111.592 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.2 tttp -63.89 148.85 48.43 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.878 0.871 . . . . 0.0 111.266 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 78.0 t -133.63 133.6 57.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.85 -170.85 3.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.999 0.812 . . . . 0.0 111.971 -170.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.431 ' CG ' HH21 ' A' ' 83' ' ' ARG . 1.0 OUTLIER 58.13 87.71 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.294 1.437 . . . . 0.0 112.258 -179.069 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.7 pp -139.75 173.12 11.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.128 -0.357 . . . . 0.0 111.728 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -77.37 170.08 17.18 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.339 0.59 . . . . 0.0 111.708 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -75.41 8.55 2.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.25 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.11 -19.83 10.7 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.158 0.435 . . . . 0.0 111.156 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -64.94 162.05 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.453 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 80.1 p -142.81 164.37 32.75 Favored Pre-proline 0 N--CA 1.455 -0.189 0 C-N-CA 122.902 0.481 . . . . 0.0 110.535 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 63.4 Cg_endo -71.03 -18.63 30.92 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.712 1.608 . . . . 0.0 110.93 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.18 -34.45 56.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.94 -0.475 . . . . 0.0 110.096 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.19 -51.4 53.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.416 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.8 mt -59.44 -29.75 68.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.566 -173.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.93 -46.15 89.12 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -85.44 -43.72 13.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 118.456 0.571 . . . . 0.0 112.488 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.0 m -64.23 -23.73 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.882 0.873 . . . . 0.0 111.581 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.7 m-85 -102.04 -17.15 16.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.293 0.497 . . . . 0.0 112.055 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.86 -20.6 63.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.083 0.856 . . . . 0.0 112.088 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.29 -18.81 61.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.797 -0.565 . . . . 0.0 112.12 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.89 -14.53 41.69 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.85 -175.51 23.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.721 -1.751 . . . . 0.0 108.721 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -63.85 118.98 9.15 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.5 -16.94 8.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.291 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.88 -51.49 2.36 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.454 1.502 . . . . 0.0 112.351 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.93 161.28 31.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.487 1.115 . . . . 0.0 108.545 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -147.47 120.58 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -144.3 165.01 29.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.8 mt -140.93 94.32 8.0 Favored Pre-proline 0 CA--C 1.529 0.164 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.27 15.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.528 1 C-N-CA 126.182 4.588 . . . . 0.0 115.598 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 29.6 ptt180 -43.84 -62.35 1.14 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.93 0.892 . . . . 0.0 112.863 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 22.0 t70 -162.6 177.26 9.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.381 1.073 . . . . 0.0 108.301 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -131.11 8.95 4.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.583 0.629 . . . . 0.0 112.111 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -130.53 -21.09 2.86 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.023 0.529 . . . . 0.0 111.307 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -131.98 -23.81 2.2 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.522 0.329 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 46.58 63.05 2.04 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.687 1.195 . . . . 0.0 112.673 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -127.34 -19.33 4.28 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -76.71 39.27 0.21 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.75 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -66.73 16.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.419 1.488 . . . . 0.0 114.209 -173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.29 1.14 20.78 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 118.614 0.643 . . . . 0.0 113.129 -177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -155.45 -174.21 4.88 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.512 1.156 . . . . 0.0 110.653 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.46 -179.27 7.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 111.723 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -153.07 64.19 0.77 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.142 1.377 . . . . 0.0 109.39 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 18.0 t -70.35 150.91 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -145.33 103.91 3.88 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.742 1.155 . . . . 0.0 112.118 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.08 162.35 29.09 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -128.28 2.85 5.73 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.339 0.656 . . . . 0.0 112.005 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -123.19 130.55 52.91 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -65.33 -22.12 66.78 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -171.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -83.49 -47.07 11.75 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.789 0.804 . . . . 0.0 109.091 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.46 -29.62 69.15 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.55 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.02 -43.23 14.14 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.69 -35.06 78.11 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.656 0.662 . . . . 0.0 110.48 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -68.62 -41.19 79.86 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.77 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.16 73.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.713 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -87.97 -27.61 21.98 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.771 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.6 -11.61 60.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.133 0.173 . . . . 0.0 111.04 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.92 -6.77 4.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.412 ' HB2' HG11 ' A' ' 87' ' ' VAL . 5.5 mmt -119.48 -22.48 6.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.092 0.86 . . . . 0.0 113.046 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -66.44 127.06 30.83 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 120.298 1.408 . . . . 0.0 110.408 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.75 3.45 83.76 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.257 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -177.0 1.22 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 117.54 0.67 . . . . 0.0 110.946 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.86 151.37 25.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 109.344 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.1 tp -119.03 -56.19 2.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.982 0.513 . . . . 0.0 111.106 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -131.0 -0.85 4.14 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.76 -13.38 2.42 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 112.171 -0.371 . . . . 0.0 112.171 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.431 HH21 ' CG ' ' A' ' 20' ' ' ASN . 10.9 ptm85 -85.17 -152.11 0.15 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 123.743 0.817 . . . . 0.0 110.335 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -122.86 156.34 34.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.065 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.48 149.71 46.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 30.7 mmt180 -142.81 147.64 35.8 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.719 -172.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -164.62 129.69 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.235 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -165.21 168.66 16.85 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.87 0.468 . . . . 0.0 109.986 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.3 149.75 41.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.079 0.466 . . . . 0.0 110.746 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.96 177.93 5.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.954 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.52 -10.33 6.84 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -151.56 178.97 8.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.086 0.955 . . . . 0.0 109.572 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.62 -45.89 1.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -159.67 153.28 19.05 Favored Pre-proline 0 N--CA 1.451 -0.404 0 C-N-CA 126.092 1.757 . . . . 0.0 107.755 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -51.67 154.1 9.91 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 125.195 3.93 . . . . 0.0 112.047 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -74.43 -23.12 15.44 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.077 2.518 . . . . 0.0 110.49 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -153.02 159.42 42.88 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.427 1.491 . . . . 0.0 107.61 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 117.994 0.361 . . . . 0.0 111.768 -174.717 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 22.2 m-85 . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 121.17 0.51 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.25 170.03 54.51 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-O 121.564 0.536 . . . . 0.0 112.026 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 142.83 19.92 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.601 0.76 . . . . 0.0 111.05 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.83 163.27 39.4 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 124.59 3.527 . . . . 0.0 110.427 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.55 160.09 47.43 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.17 2.58 . . . . 0.0 110.647 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.24 13.81 0.82 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.918 3.745 . . . . 0.0 113.085 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -141.02 13.92 2.25 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.073 0.397 . . . . 0.0 111.834 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.4 -22.54 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.874 0.47 . . . . 0.0 111.324 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -8.18 55.52 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.501 0.72 . . . . 0.0 112.397 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.09 23.51 9.23 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.218 0.913 . . . . 0.0 112.012 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.5 mtm -138.26 170.84 15.32 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-N 117.673 0.736 . . . . 0.0 110.678 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.4 m -60.24 156.89 14.49 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -152.56 140.12 19.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.169 0.588 . . . . 0.0 109.536 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -143.8 91.68 2.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 119.452 -0.308 . . . . 0.0 111.328 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 49.8 tttp -60.64 151.97 27.64 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.151 0.981 . . . . 0.0 111.313 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 62.6 t -136.97 133.01 47.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.83 1.252 . . . . 0.0 107.859 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.48 -176.5 6.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.814 0.846 . . . . 0.0 112.462 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 84.37 0.81 0.9 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.041 2.137 . . . . 0.0 113.995 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.932 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.47 172.09 0.53 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.303 1.041 . . . . 0.0 113.296 178.265 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -75.88 171.94 13.56 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 121.409 0.623 . . . . 0.0 112.272 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -78.19 -4.53 48.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.89 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.92 -22.25 18.72 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.124 0.42 . . . . 0.0 110.22 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -61.66 164.18 6.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.724 0.81 . . . . 0.0 110.989 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 62.3 p -144.28 168.63 11.96 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 124.046 0.939 . . . . 0.0 108.856 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 87.8 Cg_endo -73.66 -21.08 19.54 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 121.417 1.411 . . . . 0.0 111.079 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.21 -31.89 43.86 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 122.305 -0.247 . . . . 0.0 110.754 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -48.67 60.69 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.63 -30.43 71.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.683 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -61.21 -39.57 90.71 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -88.1 -38.5 15.34 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.308 0.643 . . . . 0.0 111.358 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.57 -39.02 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 C-N-CA 124.126 0.97 . . . . 0.0 111.158 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 44.2 m-85 -97.49 -13.53 21.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.53 -28.5 65.51 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.82 -18.52 61.46 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.774 -0.579 . . . . 0.0 112.241 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -86.29 -15.19 41.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.866 0.466 . . . . 0.0 111.127 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.74 -171.61 24.75 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 108.906 -1.677 . . . . 0.0 108.906 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -65.46 118.36 9.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.57 -18.8 10.05 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 -52.5 2.66 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 125.044 1.306 . . . . 0.0 112.209 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -161.49 162.71 30.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.954 0.902 . . . . 0.0 108.651 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -152.56 128.5 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -145.6 159.24 43.43 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.61 91.12 6.86 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -21.21 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.852 3.034 . . . . 0.0 114.082 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 29.5 -110.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 125.662 1.585 . . . . 0.0 109.729 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.97 122.49 7.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -62.77 -0.63 0.68 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.103 1.761 . . . . 0.0 113.496 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.09 -15.81 0.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.265 0.939 . . . . 0.0 113.366 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -133.65 -6.01 2.86 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.272 0.487 . . . . 0.0 111.884 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 30.1 59.85 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.472 1.909 . . . . 0.0 114.011 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -132.88 26.28 4.3 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 m -130.93 36.15 3.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.285 0.634 . . . . 0.0 111.444 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.39 -2.86 0.79 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 112.125 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.92 4.31 5.78 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.243 0.925 . . . . 0.0 114.442 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -157.8 176.72 12.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.154 1.477 . . . . 0.0 111.368 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.05 -174.75 4.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.956 0.902 . . . . 0.0 110.431 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.14 64.46 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.834 1.254 . . . . 0.0 108.103 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.8 t -74.15 139.75 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 171.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -141.05 105.8 4.92 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.194 0.906 . . . . 0.0 111.828 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -74.47 163.84 27.29 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.43 10.12 4.79 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.255 0.622 . . . . 0.0 112.084 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.06 129.98 42.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.14 -32.85 74.34 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.32 -38.55 60.2 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.641 1.11 . . . . 0.0 110.186 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.15 -29.62 66.58 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.14 -43.18 19.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.68 -30.51 70.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.74 -0.6 . . . . 0.0 111.203 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.7 -37.92 59.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.495 0.589 . . . . 0.0 110.866 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.77 73.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.26 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -87.72 -28.66 21.62 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.885 0.766 . . . . 0.0 110.788 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.71 -9.88 56.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.285 -0.259 . . . . 0.0 111.327 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.23 -7.58 3.81 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.457 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -118.68 -26.22 6.18 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.793 175.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -66.28 117.91 9.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 120.22 1.373 . . . . 0.0 109.878 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.77 2.48 90.55 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.791 -0.449 . . . . 0.0 112.418 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -176.45 1.1 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.871 0.836 . . . . 0.0 111.119 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.86 115.0 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 C-N-CA 123.585 0.754 . . . . 0.0 109.437 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.8 pt? -92.38 -19.06 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -158.89 -16.36 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.25 -6.77 0.6 Allowed Glycine 0 CA--C 1.528 0.893 0 CA-C-N 118.394 0.543 . . . . 0.0 112.049 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -111.84 -156.89 0.6 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.418 0.687 . . . . 0.0 109.261 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.34 160.84 22.23 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.601 0.36 . . . . 0.0 110.464 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -120.28 161.19 21.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 26.4 mmt180 -139.31 136.48 34.9 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 75' ' ' MET . 59.0 t -151.24 119.24 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.62 166.7 26.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.06 146.87 52.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.291 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.16 177.56 7.15 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.408 0.283 . . . . 0.0 111.748 -175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -141.74 -176.6 4.82 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.452 0.701 . . . . 0.0 110.779 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 53.52 -166.0 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.955 0.902 . . . . 0.0 111.812 -175.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.36 16.3 3.86 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.192 -0.782 . . . . 0.0 111.408 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 119.61 145.32 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.282 0 C-N-CA 130.82 3.648 . . . . 0.0 108.639 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.21 126.68 16.12 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.497 3.464 . . . . 0.0 110.715 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.44 -9.96 8.99 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.891 3.061 . . . . 0.0 113.608 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -147.55 18.79 1.18 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--N 1.332 -0.179 0 O-C-N 122.152 -0.342 . . . . 0.0 111.449 178.079 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.41 0.624 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.49 166.1 37.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -55.89 147.37 43.52 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.082 0.553 . . . . 0.0 111.611 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.82 164.23 36.17 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 124.367 3.378 . . . . 0.0 109.873 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.66 156.93 60.02 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.329 2.02 . . . . 0.0 110.317 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.68 13.94 2.45 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.219 3.28 . . . . 0.0 112.49 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -138.45 28.96 2.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.379 0.536 . . . . 0.0 111.608 -173.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.14 -26.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.212 -0.305 . . . . 0.0 111.053 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.6 0.19 13.44 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.348 0.659 . . . . 0.0 111.962 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.52 2.63 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.485 -0.62 . . . . 0.0 112.497 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -142.07 176.01 9.29 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 117.978 0.889 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 t -70.65 174.96 5.28 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.708 0.403 . . . . 0.0 110.411 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -149.17 49.82 0.97 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.207 1.003 . . . . 0.0 109.541 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.7 tm? -65.01 98.87 0.31 Allowed 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.028 0.931 . . . . 0.0 110.334 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -90.93 172.34 8.66 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 118.549 0.613 . . . . 0.0 112.423 -175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 74.3 t -148.12 138.83 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.676 1.19 . . . . 0.0 110.525 -172.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.7 174.87 13.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.03 0.932 . . . . 0.0 112.158 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 101.49 18.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.83 2.052 . . . . 0.0 114.397 169.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 177.21 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -96.3 168.35 10.63 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.084 0.553 . . . . 0.0 110.773 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -69.59 6.75 1.01 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.884 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -127.95 -8.16 5.48 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.62 0.768 . . . . 0.0 111.493 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.4 m -71.72 162.02 30.09 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -140.03 155.57 70.73 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.297 0.639 . . . . 0.0 109.396 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.24 -20.62 24.39 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.111 2.541 . . . . 0.0 112.167 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.53 -28.47 60.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -72.72 -50.65 23.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.23 -30.93 71.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -62.31 -44.39 96.62 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -80.72 -39.9 26.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 118.034 0.379 . . . . 0.0 110.714 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.74 -31.67 47.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 124.585 1.154 . . . . 0.0 111.187 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 26.7 m-85 -103.11 -11.43 18.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.994 0.361 . . . . 0.0 111.804 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -72.04 -24.03 61.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -67.82 -22.23 65.16 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -76.33 -9.15 58.42 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.033 0.533 . . . . 0.0 110.888 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.17 -82.71 0.16 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.76 126.04 2.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.667 1.187 . . . . 0.0 108.01 172.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.87 133.22 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -77.82 -23.63 66.47 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -167.41 169.28 12.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.787 0.835 . . . . 0.0 109.597 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.58 141.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -158.8 161.8 36.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.6 mt -141.58 90.73 8.71 Favored Pre-proline 0 N--CA 1.455 -0.213 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.15 -14.63 16.61 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 123.118 2.545 . . . . 0.0 113.177 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 25.79 -108.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 110.564 -175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -146.2 128.84 16.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -75.83 17.92 0.29 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 0.0 112.197 -173.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -138.84 -12.73 1.27 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 p -133.0 -17.98 2.37 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 122.63 0.372 . . . . 0.0 111.271 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 43.27 34.95 0.77 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.45 1.5 . . . . 0.0 113.512 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.25 8.67 4.71 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.7 m -93.57 29.2 2.06 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.204 0.602 . . . . 0.0 110.528 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.76 3.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.448 1.499 . . . . 0.0 112.012 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -57.94 -6.59 2.9 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.617 1.103 . . . . 0.0 114.167 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -151.77 179.71 8.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 118.547 1.174 . . . . 0.0 111.348 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.69 179.04 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.215 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.12 67.53 1.19 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.9 0.48 . . . . 0.0 111.235 -175.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 70.7 t -74.9 155.82 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 25.2 ttp-105 -149.48 160.81 43.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.212 0.46 . . . . 0.0 111.241 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 20.5 m-85 -132.53 162.85 30.21 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.135 0.974 . . . . 0.0 110.515 173.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -135.34 15.56 3.46 Favored 'General case' 0 CA--C 1.528 0.11 0 O-C-N 124.001 0.813 . . . . 0.0 112.002 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.87 131.24 38.92 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -62.1 -30.94 71.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.51 -39.39 64.85 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.061 0.846 . . . . 0.0 110.558 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -77.71 -29.55 51.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.63 -46.7 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.804 0.441 . . . . 0.0 111.389 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.7 -32.55 72.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.22 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.41 -38.09 63.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 118.419 0.554 . . . . 0.0 110.641 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.07 72.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.152 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -90.62 -27.89 18.78 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 118.84 0.745 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -68.87 -10.21 55.75 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.356 -0.215 . . . . 0.0 111.189 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.45 -8.57 3.7 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -120.55 -18.33 7.84 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.77 52.56 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.072 1.305 . . . . 0.0 111.705 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.3 3.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.128 0.87 . . . . 0.0 112.672 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.82 -175.24 2.89 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.328 1.064 . . . . 0.0 111.146 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.94 120.6 26.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.65 -55.88 7.74 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.5 -1.16 0.4 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.61 -7.98 0.08 OUTLIER Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -121.47 -174.22 2.81 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.439 1.12 . . . . 0.0 109.584 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.98 171.63 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.819 0.448 . . . . 0.0 111.156 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.86 162.83 21.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -141.99 133.51 26.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 75' ' ' MET . 61.3 t -150.9 126.11 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.06 164.94 20.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.541 0.21 . . . . 0.0 110.957 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.9 mmt -65.82 148.65 51.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.333 0.253 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.39 -177.24 5.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.752 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.74 -9.42 1.39 Allowed 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 123.52 0.728 . . . . 0.0 112.16 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.71 174.87 10.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.031 0.532 . . . . 0.0 110.453 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.38 -27.93 5.95 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 172.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -154.27 154.67 30.0 Favored Pre-proline 0 N--CA 1.447 -0.589 0 C-N-CA 125.938 1.695 . . . . 0.0 107.501 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.18 145.49 76.23 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 125.109 3.873 . . . . 0.0 110.462 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.63 -20.78 9.09 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.47 2.78 . . . . 0.0 114.256 -172.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.37 17.41 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.287 0.949 . . . . 0.0 113.336 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.333 -0.134 0 O-C-N 121.805 -0.559 . . . . 0.0 112.026 -178.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.534 0.207 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.42 176.39 39.58 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 10.9 ptm85 -52.78 149.64 11.07 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.221 1.008 . . . . 0.0 112.069 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 77.3 Cg_exo -51.1 159.66 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.654 3.569 . . . . 0.0 111.875 170.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.57 150.85 15.35 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.309 2.673 . . . . 0.0 112.199 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -79.08 8.73 3.66 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.444 3.429 . . . . 0.0 113.089 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -140.64 19.56 2.35 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.634 0.652 . . . . 0.0 111.844 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.8 -11.77 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 121.942 -0.474 . . . . 0.0 111.892 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.43 4.09 41.03 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.327 0.651 . . . . 0.0 111.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.08 15.67 3.25 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.236 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.8 mtm -142.56 168.46 19.67 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.903 0.852 . . . . 0.0 109.442 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.1 t -68.88 177.74 2.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.661 0.267 . . . . 0.0 110.483 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -151.8 151.08 30.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.731 0.776 . . . . 0.0 110.893 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 15.5 tp -143.63 152.5 41.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 14.8 pttp -130.27 165.8 21.69 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.394 0.997 . . . . 0.0 111.787 170.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 72.7 t -139.68 133.48 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.497 1.119 . . . . 0.0 109.073 -176.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -151.95 -173.12 4.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.483 1.113 . . . . 0.0 111.449 -174.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 54.71 92.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.412 1.485 . . . . 0.0 112.027 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.46 175.53 8.15 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.924 0.49 . . . . 0.0 111.563 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -84.02 169.35 15.05 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 111.644 -176.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -70.82 7.29 1.18 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.054 0.541 . . . . 0.0 111.691 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 mmm-85 -128.1 -8.71 5.38 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.729 0.812 . . . . 0.0 111.751 -177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -70.98 160.95 31.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 68.4 m -145.3 161.82 39.95 Favored Pre-proline 0 CA--C 1.53 0.181 0 C-N-CA 123.373 0.669 . . . . 0.0 109.628 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 73.2 Cg_endo -71.57 -23.12 23.6 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.073 1.848 . . . . 0.0 112.278 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.71 -33.9 60.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.319 0.509 . . . . 0.0 110.852 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.15 -49.88 63.21 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 176.039 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 33' ' ' VAL . 24.9 mt -59.8 -28.52 67.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.082 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.89 -45.9 84.0 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.547 0.612 . . . . 0.0 110.205 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -80.53 -44.69 18.67 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.7 m -67.19 -23.11 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 111.665 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.76 -16.37 19.9 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.368 0.531 . . . . 0.0 112.406 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.0 -31.3 68.67 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 0.647 . . . . 0.0 111.053 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.87 -22.17 65.99 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.968 0.507 . . . . 0.0 112.244 -175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -76.22 -12.31 60.07 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 122.687 0.395 . . . . 0.0 110.673 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.27 -73.29 0.25 Allowed Glycine 0 C--N 1.337 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -165.3 113.18 0.99 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.94 131.59 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.55 -23.77 61.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -168.11 171.74 9.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.789 0.435 . . . . 0.0 110.752 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -154.89 131.45 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.088 0.955 . . . . 0.0 108.785 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -152.54 161.16 42.96 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.47 96.74 4.78 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 -7.7 2.41 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 125.276 3.984 . . . . 0.0 117.755 -172.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 52' ' ' LYS . 13.3 mmt-85 31.02 -117.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.113 0.965 . . . . 0.0 111.139 -173.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.71 5.26 1.56 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.854 0.862 . . . . 0.0 111.697 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 43.38 7.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.577 2.751 . . . . 0.0 115.846 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.93 -21.08 0.57 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.799 0.727 . . . . 0.0 112.655 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 p -128.86 -11.86 4.81 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.029 0.377 . . . . 0.0 111.374 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 47' ' ' ARG . 36.6 mtmm 43.82 44.13 5.51 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.821 1.248 . . . . 0.0 114.09 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.17 7.69 2.66 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -61.88 -41.39 97.82 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.054 0.843 . . . . 0.0 110.507 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 14.04 66.93 0.01 OUTLIER 'General case' 0 C--N 1.34 0.172 0 C-N-CA 127.723 2.409 . . . . 0.0 114.109 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.1 -3.4 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.256 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.23 178.88 9.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.16 0.98 . . . . 0.0 109.915 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.52 -179.86 7.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.964 0.505 . . . . 0.0 110.117 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -148.5 76.83 1.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.724 0.81 . . . . 0.0 109.99 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 25.7 t -80.85 158.28 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -142.48 160.57 40.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.974 0.807 . . . . 0.0 111.092 178.642 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -127.51 166.72 17.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.041 0.936 . . . . 0.0 108.815 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -139.41 12.37 2.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -133.65 135.71 44.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -62.73 -36.81 84.2 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -68.97 -40.96 78.54 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.898 0.772 . . . . 0.0 110.726 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.75 -29.86 56.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.03 -33.16 70.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.97 -0.456 . . . . 0.0 110.63 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -73.44 -38.1 65.63 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.561 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.68 -35.95 73.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.459 -0.305 . . . . 0.0 111.218 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.47 -29.04 20.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.361 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.23 -8.97 50.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.829 0.286 . . . . 0.0 111.187 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.59 -7.34 3.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.409 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.5 mmt -118.9 -26.51 6.01 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.677 0.671 . . . . 0.0 112.342 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.42 126.17 28.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 119.864 1.211 . . . . 0.0 110.437 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.26 0.99 85.11 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.513 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.02 -177.06 1.54 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.629 0.714 . . . . 0.0 110.903 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.53 142.03 41.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.081 0 C-N-CA 123.742 0.817 . . . . 0.0 109.415 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.43 -53.15 2.67 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 122.474 0.309 . . . . 0.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -137.82 -3.81 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.91 -7.38 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.774 -0.459 . . . . 0.0 112.798 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -109.94 -165.32 1.0 Allowed 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.562 0.681 . . . . 0.0 109.674 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -104.3 162.25 13.37 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.776 0.431 . . . . 0.0 110.129 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.49 151.3 49.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 21.6 mmt180 -139.87 137.61 35.03 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.042 0.448 . . . . 0.0 111.132 -172.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 18' ' ' VAL . 57.6 t -152.12 124.85 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.531 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -164.44 165.93 21.0 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.492 0.317 . . . . 0.0 110.269 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.9 144.24 55.25 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.783 0.433 . . . . 0.0 111.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.94 178.34 4.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.872 0.469 . . . . 0.0 111.431 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -137.8 -15.48 1.36 Allowed 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.74 173.23 11.91 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.99 0.516 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.16 -33.95 4.11 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 172.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -154.97 145.63 16.19 Favored Pre-proline 0 N--CA 1.446 -0.654 0 C-N-CA 125.635 1.574 . . . . 0.0 107.626 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.18 120.63 8.16 Favored 'Trans proline' 0 N--CA 1.45 -1.07 1 C-N-CA 125.486 4.124 . . . . 0.0 110.319 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.45 -0.85 10.94 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 124.118 3.212 . . . . 0.0 112.845 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.97 32.72 2.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.373 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 174.21 41.73 Favored Glycine 0 C--N 1.336 0.555 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 5' ' ' ARG . 11.3 ptm85 -60.03 154.18 51.5 Favored Pre-proline 0 N--CA 1.449 -0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.155 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.85 160.75 47.01 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.839 3.693 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.68 160.4 48.26 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.058 2.505 . . . . 0.0 110.127 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.62 18.81 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 124.304 3.336 . . . . 0.0 112.054 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 11' ' ' GLU . 31.4 t0 -138.63 23.96 2.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.358 0.526 . . . . 0.0 111.814 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.9 9.56 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 123.106 0.563 . . . . 0.0 112.159 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 9' ' ' ASP . 35.8 mt-10 -126.63 11.71 7.34 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.315 0.646 . . . . 0.0 110.072 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.87 17.81 2.99 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.734 0.683 . . . . 0.0 111.739 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.6 mtm -141.73 169.71 17.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.492 0.717 . . . . 0.0 110.465 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 m -63.99 159.64 19.6 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -150.02 125.77 10.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -131.18 93.95 3.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.717 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 46.6 tttp -64.53 147.16 53.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.407 1.083 . . . . 0.0 110.869 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.4 t -134.67 137.76 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.819 1.247 . . . . 0.0 108.027 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.63 -174.69 4.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.966 0.906 . . . . 0.0 112.395 -172.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 70.94 93.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.66 1.584 . . . . 0.0 111.452 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' CD2' ' HB ' ' A' ' 25' ' ' THR . 5.3 mt -117.51 169.7 9.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.555 1.542 . . . . 0.0 112.534 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.651 HG23 ' HD3' ' A' ' 83' ' ' ARG . 44.6 p -109.66 166.2 11.09 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.419 0.628 . . . . 0.0 110.196 165.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -71.22 4.7 2.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.08 172.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -121.67 -1.77 9.46 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 110.564 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 24.6 m -109.58 166.66 10.73 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 172.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 73.3 m -150.7 164.05 21.76 Favored Pre-proline 0 N--CA 1.457 -0.104 0 O-C-N 122.151 -0.343 . . . . 0.0 110.595 -170.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 54.2 Cg_endo -67.5 -16.72 47.95 Favored 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 122.477 2.118 . . . . 0.0 111.784 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.55 -34.11 60.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -49.04 66.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.23 -32.17 73.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.837 -178.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 -61.22 -40.06 92.6 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -88.75 -37.58 15.36 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.58 0.752 . . . . 0.0 111.286 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.08 -36.36 71.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 124.416 1.087 . . . . 0.0 110.937 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.8 m-85 -101.22 -11.91 19.14 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.7 -32.35 70.43 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.274 -0.266 . . . . 0.0 111.707 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.11 -19.65 64.05 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -80.0 -11.93 59.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.813 0.445 . . . . 0.0 110.92 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.52 -85.39 0.14 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -152.52 121.85 6.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -57.3 -18.3 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.28 2.33 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.0 1.286 . . . . 0.0 111.96 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -155.64 163.58 39.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.868 0.867 . . . . 0.0 108.703 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.2 p -148.77 121.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -146.16 169.1 19.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.065 0.46 . . . . 0.0 111.62 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -141.58 97.48 6.66 Favored Pre-proline 0 N--CA 1.457 -0.116 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -54.06 16.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 1 C-N-CA 126.848 5.032 . . . . 0.0 117.037 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -58.35 160.15 5.49 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.841 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.6 129.25 40.15 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.025 0.441 . . . . 0.0 111.506 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -67.03 1.89 1.75 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.975 1.31 . . . . 0.0 112.955 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.81 -9.26 1.2 Allowed 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -134.72 -15.38 2.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.72 0.408 . . . . 0.0 111.542 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 35.59 42.76 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.97 2.108 . . . . 0.0 114.515 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.58 28.72 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.1 0.56 . . . . 0.0 111.64 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -128.83 35.67 4.31 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 123.419 0.688 . . . . 0.0 110.572 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -64.39 3.91 0.42 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.783 0.833 . . . . 0.0 112.546 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.3 11.8 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.041 0.829 . . . . 0.0 113.367 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -152.69 177.97 10.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.036 0.918 . . . . 0.0 110.767 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.37 5.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.932 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -149.08 59.91 1.04 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.558 1.143 . . . . 0.0 109.023 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 10.0 t -69.91 145.2 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 170.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 ttp-105 -144.91 105.03 4.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.967 1.258 . . . . 0.0 112.779 -172.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -73.36 161.95 29.88 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -128.01 6.52 6.0 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.218 0.607 . . . . 0.0 111.91 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -129.98 126.73 38.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.0 -30.3 71.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -171.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.74 -43.71 68.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.266 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.53 -27.72 58.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.26 -39.26 59.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.489 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -75.47 -39.62 58.43 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.606 0.639 . . . . 0.0 111.032 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 119.313 -0.375 . . . . 0.0 111.475 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.406 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 19.8 ptt? -88.88 -27.02 21.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.97 0.805 . . . . 0.0 110.861 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.59 -6.66 48.03 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 122.144 0.177 . . . . 0.0 110.853 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.38 -5.93 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.31 -14.78 7.37 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.07 61.84 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.334 1.425 . . . . 0.0 112.217 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.52 -2.05 0.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.027 0.823 . . . . 0.0 111.94 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.02 -174.71 2.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.626 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.9 t -132.24 142.79 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 C-N-CA 123.803 0.841 . . . . 0.0 110.595 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.9 tp -148.55 138.29 22.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 172.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.0 t70 56.05 3.62 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.781 1.232 . . . . 0.0 113.162 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.92 7.38 44.4 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.651 ' HD3' HG23 ' A' ' 22' ' ' THR . 5.6 ptt-85 -107.67 -157.93 0.63 Allowed 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.137 0.975 . . . . 0.0 109.393 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -113.97 170.34 8.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -132.59 150.64 52.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -140.48 144.06 35.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.3 p -163.93 134.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -163.58 171.53 15.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.1 mmt -63.62 162.9 12.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.533 0.206 . . . . 0.0 110.624 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.04 179.68 3.88 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 111.596 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -138.58 179.01 6.72 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 124.14 0.976 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 50.11 -153.18 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.893 0.477 . . . . 0.0 110.697 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.19 -46.59 0.05 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -158.34 150.35 17.35 Favored Pre-proline 0 N--CA 1.451 -0.391 0 C-N-CA 125.56 1.544 . . . . 0.0 107.529 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.89 137.75 21.71 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 125.007 3.805 . . . . 0.0 111.821 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.78 -31.25 5.39 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.897 2.398 . . . . 0.0 111.196 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -169.68 111.76 0.47 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.705 0.802 . . . . 0.0 109.494 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.557 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 173.35 44.12 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -52.39 151.56 7.28 Favored Pre-proline 0 N--CA 1.447 -0.577 0 C-N-CA 123.818 0.847 . . . . 0.0 111.838 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.2 157.29 54.14 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.066 3.177 . . . . 0.0 110.14 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.21 162.01 41.6 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.664 2.909 . . . . 0.0 110.194 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -83.2 24.91 0.71 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 124.292 3.328 . . . . 0.0 112.882 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -137.36 14.16 3.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.55 -9.97 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.538 0.735 . . . . 0.0 111.164 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.24 12.54 16.51 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.019 0.528 . . . . 0.0 110.823 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.31 9.7 6.21 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtm -145.01 175.47 10.21 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.707 0.803 . . . . 0.0 110.219 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.4 m -58.53 160.16 5.72 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.833 0.853 . . . . 0.0 110.129 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -149.95 132.03 15.33 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 6.4 tp -137.78 95.01 2.97 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.744 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -69.94 160.37 32.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.923 0.392 . . . . 0.0 111.078 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 60' ' ' VAL . 54.2 t -141.99 132.8 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.567 0.747 . . . . 0.0 109.785 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -155.99 -178.49 7.34 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.0 t30 90.2 -0.08 0.24 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.668 2.387 . . . . 0.0 114.156 170.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.887 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.81 171.78 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.705 0.684 . . . . 0.0 112.302 176.454 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 p -72.88 167.1 21.68 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.473 0.654 . . . . 0.0 112.575 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -74.16 10.13 1.35 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.288 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -124.6 -12.99 7.13 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.717 0.807 . . . . 0.0 111.552 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -68.05 165.24 18.41 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.6 m -136.84 156.59 75.89 Favored Pre-proline 0 C--O 1.233 0.193 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.45 -18.07 43.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.946 2.431 . . . . 0.0 112.056 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 -31.73 48.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 -50.28 55.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.13 -32.42 73.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.27 -45.97 89.77 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -82.54 -39.15 22.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.654 0.264 . . . . 0.0 110.756 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.58 -32.02 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 111.292 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -107.27 -10.08 15.91 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 118.164 0.438 . . . . 0.0 112.149 -175.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.24 -25.07 65.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.496 0.189 . . . . 0.0 110.851 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.38 -21.6 59.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.99 -14.36 59.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.178 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.97 -61.57 0.47 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.388 -0.674 . . . . 0.0 113.75 171.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.17 90.42 1.27 Allowed 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.054 0.927 . . . . 0.0 113.198 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.01 62.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.454 1.102 . . . . 0.0 108.556 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.23 -20.36 9.66 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.976 1.274 . . . . 0.0 113.344 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -153.12 156.67 39.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.954 0.877 . . . . 0.0 109.447 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.37 124.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 C-N-CA 124.052 0.941 . . . . 0.0 108.711 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -151.52 167.8 26.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.5 -176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.3 mt -142.86 91.34 7.3 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 124.251 1.02 . . . . 0.0 108.252 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.35 17.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.471 4.114 . . . . 0.0 115.003 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 37.2 ptt180 -41.72 -63.11 0.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.886 0.766 . . . . 0.0 112.11 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.496 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 7.1 t70 -163.73 -175.71 4.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -139.06 7.28 2.43 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.987 0.422 . . . . 0.0 110.845 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -137.12 -11.76 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.56 0.744 . . . . 0.0 111.259 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.1 p -130.32 -14.05 3.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.19 0.596 . . . . 0.0 110.776 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt 27.69 53.77 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.366 2.266 . . . . 0.0 114.259 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.47 -5.62 1.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.7 m -79.52 39.42 0.4 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.549 0.613 . . . . 0.0 111.177 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.57 14.81 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.659 1.584 . . . . 0.0 114.426 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.01 0.99 9.05 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.397 -0.668 . . . . 0.0 113.386 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -158.93 178.58 9.93 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.33 1.065 . . . . 0.0 110.76 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.96 -173.61 4.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.774 0.83 . . . . 0.0 109.758 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.57 91.79 1.69 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.104 0.562 . . . . 0.0 109.764 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 18' ' ' VAL . 15.0 m -97.09 160.66 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.6 ttp-105 -140.35 146.98 39.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 111.358 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -116.09 161.42 18.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.335 171.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -136.37 17.76 3.16 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.73 134.13 40.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.67 -36.91 82.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -69.98 -41.0 75.01 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.589 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.16 -25.76 39.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.29 55.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.489 -0.132 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.32 -33.16 69.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.348 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.65 -38.36 70.71 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.734 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.212 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.54 -28.09 20.98 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.588 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.54 -9.42 49.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.921 -0.487 . . . . 0.0 111.19 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 -5.78 3.06 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -124.66 -20.62 5.03 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.52 61.4 1.29 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.874 1.215 . . . . 0.0 111.542 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -5.46 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.884 0.754 . . . . 0.0 111.863 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -178.99 1.45 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.565 0.746 . . . . 0.0 111.524 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -136.38 127.47 42.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.544 0.738 . . . . 0.0 109.264 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.49 -54.25 6.65 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -148.75 -15.64 0.32 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.9 22.64 0.02 OUTLIER Glycine 0 CA--C 1.528 0.853 0 CA-C-N 118.654 0.661 . . . . 0.0 113.863 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -135.19 -149.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.412 1.085 . . . . 0.0 108.889 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.8 165.68 14.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.892 0.477 . . . . 0.0 110.076 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.65 158.32 38.86 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -138.67 138.43 37.78 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 122.689 0.396 . . . . 0.0 110.636 -173.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' MET . 66.1 t -152.34 118.1 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.271 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -158.79 168.33 27.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.752 0.31 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.3 mmt -66.46 148.68 51.53 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 110.526 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.39 179.58 5.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.72 0.295 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -138.67 -7.49 1.46 Allowed 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.112 0.565 . . . . 0.0 112.488 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.33 178.2 6.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.49 0.716 . . . . 0.0 110.521 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.69 19.91 6.54 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 122.43 147.53 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.201 0 C-N-CA 131.299 3.839 . . . . 0.0 108.912 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.94 143.31 99.6 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 125.171 3.914 . . . . 0.0 110.854 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.83 -11.98 21.86 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.033 3.155 . . . . 0.0 112.211 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.12 160.57 42.91 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.097 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.322 0.582 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.59 169.62 38.67 Favored Glycine 0 C--N 1.334 0.466 0 CA-C-O 121.352 0.418 . . . . 0.0 112.719 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.4 20.92 Favored Pre-proline 0 N--CA 1.448 -0.548 0 C-N-CA 124.389 1.075 . . . . 0.0 112.647 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.86 165.81 28.56 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.995 3.797 . . . . 0.0 110.611 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -66.38 154.98 72.21 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.982 2.455 . . . . 0.0 110.883 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -79.06 18.2 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 124.901 3.734 . . . . 0.0 113.023 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -136.81 16.2 3.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.263 0.483 . . . . 0.0 111.969 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.8 -16.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 O-C-N 121.995 -0.44 . . . . 0.0 111.485 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.51 -7.93 54.65 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.455 0.702 . . . . 0.0 111.929 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.69 20.93 4.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 123.42 0.533 . . . . 0.0 112.601 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.3 mtm -141.46 164.52 30.0 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 117.739 0.769 . . . . 0.0 110.527 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -77.58 177.27 8.2 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.843 0.457 . . . . 0.0 110.24 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -147.36 135.61 21.57 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.501 0.721 . . . . 0.0 110.049 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.6 tm? -133.52 93.39 3.13 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 122.706 0.402 . . . . 0.0 110.394 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -69.02 154.83 41.39 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.068 1.347 . . . . 0.0 111.903 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.6 t -138.35 135.62 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 125.259 1.424 . . . . 0.0 108.067 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.86 177.91 10.96 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 85.38 12.41 0.23 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.029 2.131 . . . . 0.0 114.523 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -59.63 174.62 0.43 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.126 0.876 . . . . 0.0 112.515 178.348 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.7 p -78.83 169.67 17.86 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 121.51 0.671 . . . . 0.0 111.973 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -77.23 11.17 2.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.083 175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -126.79 -16.43 5.2 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.684 0.794 . . . . 0.0 111.891 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 84.9 m -74.54 167.08 22.44 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -140.85 162.02 50.85 Favored Pre-proline 0 CA--C 1.528 0.132 0 O-C-N 122.118 -0.364 . . . . 0.0 110.361 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.55 -17.08 43.41 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.159 1.906 . . . . 0.0 111.116 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.68 -43.24 72.89 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -66.34 -51.74 54.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.587 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.567 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.9 mt -58.21 -26.6 63.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.961 -172.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -68.88 -42.11 77.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.222 0.464 . . . . 0.0 110.572 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -86.79 -41.91 13.72 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.8 m -67.12 -24.73 32.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 111.473 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.0 m-85 -96.8 -16.8 20.62 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 118.26 0.482 . . . . 0.0 112.293 174.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.18 -30.51 37.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.129 0.422 . . . . 0.0 111.841 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.97 -21.59 61.56 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -84.45 -16.13 43.63 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 122.449 0.3 . . . . 0.0 110.773 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.7 -160.1 27.36 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -61.42 90.36 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.3 p -72.01 53.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 168.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.84 -8.23 5.51 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.166 1.365 . . . . 0.0 113.342 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.53 145.79 27.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 117.458 0.629 . . . . 0.0 109.556 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -153.77 107.41 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -137.24 165.67 25.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.8 mt -140.42 96.97 7.66 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.48 20.83 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.526 1 C-N-CA 126.818 5.012 . . . . 0.0 116.841 178.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -48.05 145.46 3.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.804 0.729 . . . . 0.0 110.403 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.06 125.17 17.9 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 ttt-85 -62.84 5.22 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.58 1.552 . . . . 0.0 113.68 -173.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -143.96 -8.32 0.71 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -139.15 -22.48 0.92 Allowed 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.087 0.403 . . . . 0.0 111.662 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 46.28 24.57 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.934 1.694 . . . . 0.0 114.317 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.45 22.51 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.246 1.018 . . . . 0.0 113.067 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -133.67 38.08 3.26 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -170.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -59.67 -6.64 1.22 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.398 1.079 . . . . 0.0 112.756 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.8 4.93 4.95 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 119.198 -0.779 . . . . 0.0 114.626 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -159.13 176.4 12.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.254 1.527 . . . . 0.0 111.626 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.27 -173.33 4.47 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.924 0.89 . . . . 0.0 110.82 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.9 60.54 1.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.32 1.448 . . . . 0.0 108.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 34.8 t -71.42 147.51 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 171.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 17.4 ttp-105 -141.17 143.85 34.46 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 112.305 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.08 161.61 15.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.241 171.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -126.29 15.53 7.77 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.194 0.598 . . . . 0.0 112.366 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -140.01 141.98 36.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.245 0.475 . . . . 0.0 110.223 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -60.25 -37.78 81.47 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.9 -37.5 64.64 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 119.046 0.839 . . . . 0.0 110.601 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -76.55 -31.51 57.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.2 67.28 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 122.853 0.461 . . . . 0.0 111.531 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -31.98 66.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 122.049 -0.407 . . . . 0.0 111.726 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -74.72 -38.28 62.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.66 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.83 72.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.804 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.59 -29.68 19.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 118.724 0.693 . . . . 0.0 110.494 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.79 -9.7 46.45 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.187 -0.32 . . . . 0.0 111.324 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.42 -6.32 3.33 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.442 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.6 mmt -120.78 -23.06 6.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.729 0.695 . . . . 0.0 112.625 174.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.8 125.63 26.88 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.739 1.154 . . . . 0.0 109.655 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.45 1.68 88.84 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.316 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 -174.54 0.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.7 0.75 . . . . 0.0 111.49 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -135.67 148.32 28.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.31 -53.32 2.67 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.096 0.559 . . . . 0.0 109.797 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -140.97 -3.65 1.23 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.44 -13.5 0.6 Allowed Glycine 0 C--N 1.341 0.836 0 O-C-N 122.089 -0.382 . . . . 0.0 112.681 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -91.74 -155.68 0.42 Allowed 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 117.662 0.731 . . . . 0.0 109.773 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 167.98 10.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.392 0.677 . . . . 0.0 109.68 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.89 156.17 49.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -141.57 144.83 34.46 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 16' ' ' LEU . 58.2 t -153.44 125.09 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.281 1.032 . . . . 0.0 108.249 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -165.06 165.05 20.29 Favored 'General case' 0 C--O 1.227 -0.095 0 CA-C-N 117.817 0.28 . . . . 0.0 110.632 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.87 153.86 31.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.609 0.364 . . . . 0.0 110.974 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.4 174.18 5.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -127.46 -12.93 5.54 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.33 0.652 . . . . 0.0 112.646 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -149.56 165.27 32.73 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.12 0.418 . . . . 0.0 110.294 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.24 -37.94 54.41 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.546 ' HB2' ' HD2' ' A' ' 95' ' ' PRO . 4.3 ppt_? 159.0 167.73 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 129.807 3.243 . . . . 0.0 109.393 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 94' ' ' ARG . 35.6 Cg_exo -54.69 145.26 60.85 Favored 'Trans proline' 0 N--CA 1.456 -0.685 1 C-N-CA 125.69 4.26 . . . . 0.0 112.365 -172.888 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.7 -44.16 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.97 2.447 . . . . 0.0 113.107 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -155.41 25.48 0.41 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.081 0.553 . . . . 0.0 111.913 -172.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.884 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 169.51 28.67 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -54.49 148.95 22.67 Favored Pre-proline 0 N--CA 1.454 -0.24 0 C-N-CA 123.822 0.849 . . . . 0.0 111.198 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 157.7 57.01 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.417 3.412 . . . . 0.0 111.035 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.98 160.99 33.32 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.642 2.895 . . . . 0.0 111.291 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.83 31.22 0.48 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 124.797 3.665 . . . . 0.0 111.348 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 11' ' ' GLU . 25.6 t0 -132.91 21.1 4.15 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.614 0.366 . . . . 0.0 111.724 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.79 16.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.964 0.905 . . . . 0.0 113.023 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 9' ' ' ASP . 40.3 mt-10 -125.25 10.24 8.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.795 0.838 . . . . 0.0 110.153 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 43.35 0.71 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG2' ' H ' ' A' ' 15' ' ' SER . 55.8 ttm -132.51 145.51 51.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.985 0.914 . . . . 0.0 110.539 -169.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.5 m -70.14 -28.69 65.56 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.595 0.358 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.505 ' H ' ' HG2' ' A' ' 13' ' ' MET . 39.6 m 46.82 50.16 13.68 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 125.574 1.549 . . . . 0.0 113.949 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.85 96.35 3.09 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.711 -0.618 . . . . 0.0 110.153 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.73 155.12 41.17 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.993 0.36 . . . . 0.0 111.221 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 77.6 t -140.33 135.13 35.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.045 0.938 . . . . 0.0 109.368 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -157.12 -174.9 5.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.127 0.971 . . . . 0.0 112.337 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 74.57 6.66 4.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.696 1.999 . . . . 0.0 114.683 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -61.62 175.09 0.66 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.879 0.763 . . . . 0.0 111.148 173.285 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 p -80.03 166.45 21.55 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.042 0.448 . . . . 0.0 111.988 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -77.91 -4.33 46.27 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.815 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -97.85 -18.7 18.57 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 26' ' ' SER . 78.2 m -71.11 167.49 19.19 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 74.4 m -141.62 161.08 53.98 Favored Pre-proline 0 CA--C 1.528 0.108 0 C-N-CA 122.933 0.493 . . . . 0.0 109.873 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 59.7 Cg_endo -69.81 -18.15 36.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.655 2.236 . . . . 0.0 111.678 -175.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.86 -31.18 51.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -50.48 44.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.65 -32.09 73.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.45 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -59.92 -44.86 94.07 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -82.8 -38.84 22.55 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 117.835 0.289 . . . . 0.0 111.291 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.71 -33.94 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 37.9 m-85 -104.31 -11.42 17.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.09 -21.38 64.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.67 -19.05 61.5 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.876 -0.515 . . . . 0.0 112.144 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -87.04 -13.44 44.35 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.401 0.68 . . . . 0.0 111.124 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.65 21.36 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -176.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -64.46 120.45 12.31 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.74 -17.12 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.928 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.29 -58.86 1.93 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 124.875 1.226 . . . . 0.0 111.884 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -151.73 159.11 44.09 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.865 0.866 . . . . 0.0 109.094 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.96 122.69 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -145.82 166.59 25.5 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.1 mt -143.92 93.21 6.16 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 124.672 1.189 . . . . 0.0 107.92 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -62.34 16.59 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.356 1 C-N-CA 125.617 4.211 . . . . 0.0 115.259 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 31.1 ptt180 -41.19 -62.42 0.84 Allowed 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.8 0.84 . . . . 0.0 113.123 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 6.5 m-20 -154.02 -179.49 7.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.168 0.987 . . . . 0.0 109.022 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -134.64 16.35 3.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.47 0.176 . . . . 0.0 110.828 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -137.52 -21.15 1.16 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.244 0.618 . . . . 0.0 112.237 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -136.01 -10.31 2.02 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 122.717 0.407 . . . . 0.0 112.055 -174.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 32.06 61.38 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.993 1.717 . . . . 0.0 113.273 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.91 -8.52 1.04 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 t -78.47 39.68 0.34 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.765 0.712 . . . . 0.0 111.057 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -65.41 15.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.517 1.527 . . . . 0.0 114.311 -174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 -3.29 16.63 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.223 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -154.49 -176.35 5.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.175 0.987 . . . . 0.0 110.057 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 21' ' ' LEU . . . -154.36 -176.9 6.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.338 0.655 . . . . 0.0 110.042 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -147.98 75.75 1.35 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.184 0.994 . . . . 0.0 109.042 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -76.16 148.44 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -148.75 106.04 3.63 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.733 0.697 . . . . 0.0 112.302 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -79.53 164.38 23.93 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 122.7 0.4 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -122.79 -6.13 8.55 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.142 0.577 . . . . 0.0 112.479 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -123.19 143.48 49.99 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 118.161 0.437 . . . . 0.0 111.18 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.19 -48.49 81.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.425 0.69 . . . . 0.0 112.613 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -73.9 -35.9 64.71 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 117.88 0.309 . . . . 0.0 111.77 -172.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.62 -30.52 67.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.34 -39.09 23.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.96 -30.19 68.57 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 121.779 -0.576 . . . . 0.0 111.243 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -76.22 -38.65 56.14 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.578 0.626 . . . . 0.0 110.29 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.98 70.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.557 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -91.24 -26.33 19.06 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 110.998 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.18 -9.48 58.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.111 0.164 . . . . 0.0 111.063 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 -9.75 3.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.427 ' HB2' HG11 ' A' ' 87' ' ' VAL . 6.0 mmt -115.18 -22.45 9.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.105 0.866 . . . . 0.0 112.909 174.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.35 125.34 23.81 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.834 1.197 . . . . 0.0 110.222 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 4.05 72.13 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.795 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.95 -178.22 1.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.897 0.848 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -141.74 149.56 19.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -140.7 -7.19 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.212 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.4 7.99 0.26 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.432 0.56 . . . . 0.0 111.805 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.05 5.3 44.08 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.551 -0.583 . . . . 0.0 111.883 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -106.82 -149.21 0.43 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -124.57 165.57 17.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 80' ' ' LEU . 83.3 mt -135.63 154.47 51.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -142.69 146.0 33.96 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.673 0.749 . . . . 0.0 111.642 -173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 75' ' ' MET . 2.4 p -164.04 135.12 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.129 176.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -169.3 171.65 7.75 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.57 158.67 20.53 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.96 -173.42 2.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 112.219 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -131.62 175.11 9.45 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.404 1.081 . . . . 0.0 109.063 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 51.57 -165.52 0.05 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.376 0.608 . . . . 0.0 111.347 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -114.47 -35.99 1.36 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 107.166 -2.374 . . . . 0.0 107.166 167.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -170.37 161.89 6.25 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 126.883 2.073 . . . . 0.0 105.54 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -55.62 141.06 84.24 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 124.404 3.403 . . . . 0.0 111.553 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.26 -6.99 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.846 3.031 . . . . 0.0 111.822 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -143.96 -171.67 3.6 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.71 1.204 . . . . 0.0 109.213 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 p . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 122.412 0.285 . . . . 0.0 111.396 -178.782 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.712 0.291 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.28 41.6 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -58.23 153.1 38.38 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.036 0.934 . . . . 0.0 111.527 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.69 157.88 47.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.239 3.293 . . . . 0.0 110.619 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.59 146.43 53.69 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.701 2.934 . . . . 0.0 111.92 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -77.88 6.57 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.07 3.18 . . . . 0.0 111.818 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -142.87 21.52 1.96 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.16 0.584 . . . . 0.0 111.246 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.26 -20.02 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.201 1.0 . . . . 0.0 111.957 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.16 -6.99 51.0 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.47 0.708 . . . . 0.0 112.555 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.8 30.25 3.79 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.91 0.767 . . . . 0.0 112.996 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.4 mtm -134.61 173.32 11.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 117.93 0.865 . . . . 0.0 110.858 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -56.46 -33.82 66.29 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 123.227 0.611 . . . . 0.0 111.751 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m 40.76 47.56 2.5 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.831 1.252 . . . . 0.0 113.562 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 87' ' ' VAL . 9.7 tp -68.6 92.67 0.47 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.04 0.536 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 11.7 pttp -70.25 164.01 25.26 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.777 0.717 . . . . 0.0 111.469 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.7 t -143.75 134.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 124.383 1.073 . . . . 0.0 109.053 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -153.41 177.25 11.1 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.518 0.727 . . . . 0.0 112.533 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 91.23 21.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.739 2.016 . . . . 0.0 113.622 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -58.84 175.84 0.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.63 0.772 . . . . 0.0 113.027 177.724 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -84.33 167.93 16.08 Favored 'General case' 0 CA--C 1.524 -0.058 0 CA-C-O 121.551 0.691 . . . . 0.0 111.07 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -70.87 9.14 0.73 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.603 0.761 . . . . 0.0 111.786 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -133.16 -7.39 3.02 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.088 0.955 . . . . 0.0 112.325 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' HD22 ' A' ' 21' ' ' LEU . 93.7 m -70.22 162.35 28.58 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 69.9 m -139.31 160.21 62.99 Favored Pre-proline 0 C--O 1.233 0.231 0 C-N-CA 123.445 0.698 . . . . 0.0 109.942 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.4 Cg_endo -72.22 -16.41 28.27 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.46 2.106 . . . . 0.0 111.635 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.39 -31.46 42.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -50.22 53.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.0 -30.94 71.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -61.26 -44.68 96.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -81.17 -39.97 24.67 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 122.329 -0.232 . . . . 0.0 110.854 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.2 -33.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 111.207 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.3 m-85 -103.63 -11.2 17.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.26 -21.41 64.81 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.805 0.275 . . . . 0.0 111.695 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.228 -0.064 0 O-C-N 121.83 -0.544 . . . . 0.0 111.795 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -85.47 -14.26 46.61 Favored 'General case' 0 N--CA 1.458 -0.034 0 C-N-CA 123.231 0.612 . . . . 0.0 111.49 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.12 -175.05 23.44 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 108.349 -1.9 . . . . 0.0 108.349 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.27 119.46 10.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 m -58.52 -15.82 6.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.13 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.31 -56.89 2.84 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.554 1.073 . . . . 0.0 112.163 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -156.81 163.58 39.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.813 0.845 . . . . 0.0 108.784 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.7 127.4 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -150.88 155.44 39.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.906 0.384 . . . . 0.0 111.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -141.21 95.04 7.54 Favored Pre-proline 0 N--CA 1.456 -0.166 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -74.11 -6.07 17.93 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.377 3.385 . . . . 0.0 115.776 -165.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 47' ' ' ARG . 10.9 mmt-85 35.43 -125.8 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -171.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.1 130.37 20.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 168.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -71.44 16.04 0.11 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.83 -13.01 1.26 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -136.26 -11.19 1.93 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.72 0.408 . . . . 0.0 111.731 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 37.52 48.57 0.9 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.342 1.857 . . . . 0.0 114.065 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.95 5.84 3.1 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -85.51 35.69 0.62 Allowed 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.698 -0.626 . . . . 0.0 111.413 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.07 3.4 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.579 1.552 . . . . 0.0 112.859 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.23 -6.75 34.73 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 119.135 -0.814 . . . . 0.0 114.004 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -153.86 -179.55 7.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.173 1.487 . . . . 0.0 111.617 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.36 178.79 7.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 62.27 0.92 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 21.5 t -75.3 148.37 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 171.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -152.09 109.09 3.52 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.894 1.224 . . . . 0.0 113.987 -173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.94 167.11 20.91 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.323 0.649 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -132.36 7.49 4.22 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.021 0.528 . . . . 0.0 112.188 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.14 134.37 45.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 122.736 0.414 . . . . 0.0 110.086 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.5 -34.24 75.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -172.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -76.56 -40.24 50.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.934 0.788 . . . . 0.0 110.939 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -70.92 -29.48 65.54 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.49 -41.95 19.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.76 -32.74 74.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.779 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.97 -38.54 66.68 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.527 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.47 71.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 119.265 -0.398 . . . . 0.0 111.525 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -91.25 -27.46 18.43 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 118.76 0.709 . . . . 0.0 110.794 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.9 -10.2 57.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.154 0.182 . . . . 0.0 111.036 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.28 -9.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.5 mmt -115.93 -23.85 8.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.149 0.886 . . . . 0.0 113.208 174.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.99 120.68 11.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.006 1.275 . . . . 0.0 110.153 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.7 4.46 85.19 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.35 -172.35 0.91 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.551 0.676 . . . . 0.0 111.344 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.42 149.28 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.894 0.877 . . . . 0.0 109.137 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 tp -120.39 -60.05 1.71 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.414 0.286 . . . . 0.0 111.599 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -118.05 -7.79 10.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.78 -14.85 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.248 0.452 . . . . 0.0 111.989 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 83' ' ' ARG . 0.9 OUTLIER -93.34 -160.76 0.78 Allowed 'General case' 0 C--N 1.341 0.219 0 CA-C-N 117.411 0.605 . . . . 0.0 109.456 176.307 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.75 169.73 8.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -136.36 156.53 48.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -144.95 154.32 42.46 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.457 0.646 . . . . 0.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -170.02 131.59 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.877 -178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -169.69 165.26 10.08 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 122.91 0.484 . . . . 0.0 109.954 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.09 148.97 46.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.727 0.411 . . . . 0.0 111.194 -177.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.71 177.55 4.09 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.932 0.493 . . . . 0.0 111.612 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -141.96 -6.72 0.96 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.16 -177.89 4.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.104 0.562 . . . . 0.0 111.102 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.89 21.65 5.85 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.351 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 122.97 144.66 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 130.786 3.634 . . . . 0.0 109.391 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -70.25 129.94 17.91 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 125.137 3.891 . . . . 0.0 112.445 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -83.23 179.22 5.25 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.961 3.107 . . . . 0.0 110.055 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.97 31.49 1.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.658 1.183 . . . . 0.0 114.118 174.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.339 0.12 0 O-C-N 121.964 -0.46 . . . . 0.0 111.213 177.44 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -158.34 -179.16 7.84 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 51.16 -161.34 0.08 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.783 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.85 148.12 19.76 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 96.4 mtt180 -66.23 152.22 94.51 Favored Pre-proline 0 N--CA 1.448 -0.534 0 C-N-CA 122.535 0.334 . . . . 0.0 110.643 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 75.1 Cg_exo -49.8 148.73 11.95 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 124.461 3.441 . . . . 0.0 112.041 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.81 160.41 40.74 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.714 2.943 . . . . 0.0 111.086 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.1 39.38 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 1 C-N-CA 125.616 4.211 . . . . 0.0 111.145 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -129.31 15.29 6.13 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.063 0.545 . . . . 0.0 111.482 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.25 -10.05 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.23 0.612 . . . . 0.0 112.325 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.67 -7.06 53.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.965 0.506 . . . . 0.0 112.031 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.75 12.46 0.31 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.627 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.503 ' HG2' ' H ' ' A' ' 15' ' ' SER . 57.3 ttm -61.38 141.05 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.99 0.916 . . . . 0.0 110.952 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.5 m -73.05 -29.11 62.73 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.503 ' H ' ' HG2' ' A' ' 13' ' ' MET . 32.8 m 55.96 41.59 29.68 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 124.511 1.125 . . . . 0.0 113.256 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 tp -68.73 144.78 54.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 15.0 pttp -126.97 165.46 19.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.014 0.825 . . . . 0.0 111.846 170.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 92.1 t -140.06 138.52 37.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.928 0.891 . . . . 0.0 109.701 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.95 -177.56 6.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.09 1.356 . . . . 0.0 111.056 -175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 91.03 -0.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.322 2.249 . . . . 0.0 113.526 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.85 179.64 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.841 0.856 . . . . 0.0 111.527 176.14 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -92.04 169.73 10.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.226 0.536 . . . . 0.0 112.076 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -74.75 7.13 3.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.348 0.659 . . . . 0.0 111.472 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -122.52 -11.44 8.29 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 124.047 0.939 . . . . 0.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -66.44 165.62 14.0 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -143.86 157.44 57.99 Favored Pre-proline 0 C--O 1.233 0.217 0 C-N-CA 122.683 0.393 . . . . 0.0 110.129 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.24 -24.25 23.42 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.875 2.384 . . . . 0.0 112.891 -172.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.0 -28.18 65.3 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -55.22 8.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.39 -29.17 69.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.156 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -61.43 -46.68 89.08 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ttm105 -81.43 -38.69 26.08 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.714 0.406 . . . . 0.0 111.042 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.08 -34.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.262 1.025 . . . . 0.0 111.424 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 33.1 m-85 -100.76 -11.38 19.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.09 -25.8 67.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.391 0.277 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.99 -22.25 59.68 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 122.825 0.45 . . . . 0.0 111.887 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -74.41 -14.77 60.9 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.52 -60.93 0.46 Allowed Glycine 0 C--N 1.34 0.769 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.385 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -153.29 96.61 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.546 0.688 . . . . 0.0 111.401 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.04 59.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . -51.17 -21.89 6.2 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 124.788 1.185 . . . . 0.0 112.671 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -159.02 162.26 36.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 117.924 0.862 . . . . 0.0 110.493 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -157.41 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -151.32 161.9 41.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -142.8 89.73 7.95 Favored Pre-proline 0 CA--C 1.529 0.159 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 72.4 Cg_endo -79.34 25.92 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.711 3.608 . . . . 0.0 112.376 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 34.2 ptt180 -32.47 -58.38 0.33 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.888 1.275 . . . . 0.0 112.466 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' HB2' ' H ' ' A' ' 52' ' ' LYS . 3.7 m-20 -156.89 -178.53 7.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 10.4 ttp180 -139.66 15.29 2.52 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 110.42 172.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -134.7 -11.39 2.35 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.024 0.53 . . . . 0.0 111.311 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.6 p -138.64 -18.13 1.09 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.655 0.782 . . . . 0.0 111.224 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' H ' ' HB2' ' A' ' 48' ' ' ASP . 96.4 mttt 35.47 56.51 0.87 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 126.748 2.019 . . . . 0.0 113.284 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -147.83 -0.52 0.62 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -62.54 -46.54 87.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.887 1.221 . . . . 0.0 111.19 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' H ' ' HB2' ' A' ' 47' ' ' ARG . 4.7 ptm180 36.57 19.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.359 2.664 . . . . 0.0 116.498 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.22 -8.87 80.23 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.899 -0.501 . . . . 0.0 112.887 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -158.0 -179.39 8.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.715 0.758 . . . . 0.0 110.311 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.93 -177.29 5.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.922 0.889 . . . . 0.0 109.46 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -144.18 75.6 1.47 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.936 0.895 . . . . 0.0 109.143 -177.177 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 13.1 t -76.15 151.1 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -147.89 155.39 41.55 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-N 119.275 0.943 . . . . 0.0 113.391 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -128.82 159.88 34.34 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.408 1.083 . . . . 0.0 109.835 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 29.0 m-70 -124.04 -2.88 8.13 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -125.76 134.6 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.25 -26.57 67.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -170.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.35 -39.85 64.87 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.355 0.98 . . . . 0.0 110.162 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.44 -26.91 34.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.87 65.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.821 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.43 -36.08 76.31 Favored 'General case' 0 N--CA 1.457 -0.101 0 O-C-N 121.933 -0.479 . . . . 0.0 110.701 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -70.12 -38.01 75.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.881 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.23 71.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.464 -0.303 . . . . 0.0 111.403 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -93.35 -25.66 17.61 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.292 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.34 -8.8 56.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.299 0.24 . . . . 0.0 111.299 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.19 -10.0 2.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.7 mmt -112.07 -28.04 8.15 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.399 0.999 . . . . 0.0 112.818 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.44 116.11 4.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 120.008 1.276 . . . . 0.0 110.213 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.82 3.39 62.33 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.218 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.41 -176.01 1.42 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.154 0.977 . . . . 0.0 110.209 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.21 118.39 17.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.11 -56.69 6.94 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -151.05 -0.56 0.37 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.26 -6.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.352 -0.693 . . . . 0.0 113.684 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -118.43 -172.31 2.25 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-N 118.192 0.996 . . . . 0.0 109.224 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -95.4 169.13 10.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.638 0.256 . . . . 0.0 110.833 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.02 157.03 29.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -136.84 143.92 43.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -162.19 126.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -164.56 167.85 18.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.64 143.45 57.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.96 177.61 2.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.739 0.415 . . . . 0.0 111.322 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -136.01 -8.59 2.07 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 112.293 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -134.22 165.4 25.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.728 0.642 . . . . 0.0 110.051 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.99 10.6 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HA ' ' C5 ' ' B' ' 104' ' ' ' C' . 10.4 ptm180 -174.24 162.47 2.84 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.936 1.694 . . . . 0.0 106.455 174.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.577 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 44.5 Cg_endo -61.52 143.12 96.93 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 124.052 3.168 . . . . 0.0 110.969 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.26 -22.37 4.93 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.513 2.809 . . . . 0.0 114.176 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -157.56 18.15 0.27 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -6.25 3.07 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -135.22 9.72 3.49 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.319 0.509 . . . . 0.0 111.269 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 52.93 -172.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.324 1.45 . . . . 0.0 113.438 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.439 -1.267 . . . . 0.0 110.109 -178.651 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 O4'-C1'-N19 111.044 2.844 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.564 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 112.043 -2.304 . 0.034 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.577 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 N19-C1'-C2' 107.043 -3.973 . 0.199 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.507 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 O4'-C1'-N19 116.996 8.796 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 109.925 -3.716 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O4'-C1'-N19 113.406 5.206 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 tpp . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -144.1 11.39 1.56 Allowed 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.342 0.657 . . . . 0.0 111.526 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -134.1 176.19 8.81 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.976 0.911 . . . . 0.0 109.692 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.91 175.01 36.78 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -60.39 154.42 53.89 Favored Pre-proline 0 N--CA 1.448 -0.558 0 C-N-CA 123.996 0.918 . . . . 0.0 111.947 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -71.09 163.88 37.67 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 124.643 3.562 . . . . 0.0 109.793 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.44 154.3 69.18 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.699 2.266 . . . . 0.0 110.396 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.59 19.42 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 124.44 3.427 . . . . 0.0 112.551 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -134.68 20.12 3.57 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.591 0.632 . . . . 0.0 111.795 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.46 -20.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 O-C-N 121.756 -0.59 . . . . 0.0 110.448 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.16 1.01 12.17 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.783 0.833 . . . . 0.0 111.608 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.75 17.82 3.02 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.554 0.597 . . . . 0.0 111.652 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.1 mtm -143.72 174.51 10.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.784 0.833 . . . . 0.0 109.86 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -66.18 168.76 8.02 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -154.08 57.56 0.72 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.718 0.407 . . . . 0.0 110.652 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 21.6 tp -69.83 150.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 36.4 tttp -126.12 154.69 42.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.829 0.852 . . . . 0.0 109.945 174.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 87' ' ' VAL . 71.6 t -136.57 136.55 48.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 124.306 1.042 . . . . 0.0 108.301 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.06 179.24 9.33 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t30 84.38 18.46 0.17 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.83 2.052 . . . . 0.0 114.075 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.3 169.36 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -81.24 169.81 16.86 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -71.18 8.17 1.06 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.827 0.451 . . . . 0.0 111.653 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -130.55 -7.87 4.13 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.039 0.936 . . . . 0.0 111.989 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -71.02 162.75 28.9 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.982 0.356 . . . . 0.0 110.142 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.77 156.32 62.73 Favored Pre-proline 0 N--CA 1.455 -0.192 0 C-N-CA 123.203 0.601 . . . . 0.0 109.454 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.56 -17.85 29.67 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 122.841 2.361 . . . . 0.0 112.149 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -76.11 -31.05 58.49 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -50.21 34.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.53 -31.85 73.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.311 0.382 . . . . 0.0 110.762 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.36 -48.01 83.27 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -81.28 -37.12 28.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.688 0.395 . . . . 0.0 111.061 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.09 -36.01 69.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 124.008 0.923 . . . . 0.0 111.419 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.4 m-85 -99.07 -11.71 21.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.85 -25.07 67.75 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.51 0.324 . . . . 0.0 111.534 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.12 -20.88 57.24 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.15 -14.95 59.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.15 0.281 . . . . 0.0 110.826 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.1 -73.06 0.26 Allowed Glycine 0 C--N 1.341 0.849 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.483 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -150.21 101.68 3.02 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-O 122.167 0.984 . . . . 0.0 111.515 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.5 55.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.21 -17.63 4.15 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 124.544 1.069 . . . . 0.0 113.843 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -155.23 157.91 38.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.98 0.89 . . . . 0.0 109.76 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.39 131.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.51 156.53 43.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mt -145.5 94.76 5.1 Favored Pre-proline 0 C--O 1.231 0.124 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 24.7 Cg_exo -63.19 -22.23 72.64 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.471 3.447 . . . . 0.0 116.946 -173.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 32.07 -110.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.015 0.926 . . . . 0.0 109.223 -166.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -146.39 128.34 15.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 8.1 ptm180 -71.9 21.04 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -134.92 -7.02 2.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 111.348 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 p -140.62 -29.43 0.68 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.233 0.613 . . . . 0.0 110.436 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 48.54 33.48 4.12 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.056 1.743 . . . . 0.0 113.437 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -135.83 11.61 3.39 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -60.3 -30.47 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.715 0.689 . . . . 0.0 111.654 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 24.33 75.37 0.02 OUTLIER 'General case' 0 C--N 1.342 0.241 0 C-N-CA 126.719 2.008 . . . . 0.0 113.83 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.49 -1.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.473 -0.626 . . . . 0.0 113.551 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 23.0 p90 -157.87 179.5 9.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.391 1.095 . . . . 0.0 109.958 177.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.88 -176.16 5.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.408 0.623 . . . . 0.0 111.279 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -149.05 56.11 1.0 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.48 1.512 . . . . 0.0 108.306 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 3.7 t -68.88 144.64 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 18.5 ttp180 -144.71 154.92 43.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -172.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.09 164.02 21.8 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.648 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -129.95 8.94 5.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.8 131.78 37.91 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -63.77 -34.71 78.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -69.03 -38.88 79.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.582 0.628 . . . . 0.0 110.644 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -77.12 -27.5 54.04 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -35.76 51.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.453 0.301 . . . . 0.0 111.539 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -71.19 -33.07 69.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.23 -0.294 . . . . 0.0 110.482 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -71.56 -38.21 71.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.385 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.27 72.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 119.392 -0.337 . . . . 0.0 111.546 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -90.08 -28.42 19.02 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 118.589 0.632 . . . . 0.0 110.63 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.82 -8.56 44.64 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.883 -0.511 . . . . 0.0 111.294 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.47 -7.96 3.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.2 mmt -120.69 -24.98 5.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.81 0.732 . . . . 0.0 112.917 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.24 126.09 28.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 119.815 1.189 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.55 0.92 90.37 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 123.174 0.416 . . . . 0.0 112.324 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.71 -178.77 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.477 0.638 . . . . 0.0 110.449 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.23 143.4 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.324 0.583 . . . . 0.0 111.022 -174.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 82' ' ' GLY . 67.1 tp -149.81 139.39 21.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.9 t70 54.68 0.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.654 1.582 . . . . 0.0 113.192 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.91 -1.6 31.74 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 177.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -94.6 -158.41 0.63 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 117.72 0.76 . . . . 0.0 109.813 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -113.7 166.65 11.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.6 152.32 51.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 16.8 mmt180 -140.19 141.21 35.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.859 0.361 . . . . 0.0 111.231 -170.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 75' ' ' MET . 48.3 t -151.43 124.1 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.03 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -163.31 166.17 23.35 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 123.039 0.536 . . . . 0.0 109.845 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.79 146.15 54.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.55 0.34 . . . . 0.0 110.714 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' N3 ' ' B' ' 103' ' ' ' C' . . . -71.23 177.55 3.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.577 0.751 . . . . 0.0 112.704 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.09 175.3 9.7 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.726 1.21 . . . . 0.0 109.985 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 49.69 -159.84 0.06 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.806 0.842 . . . . 0.0 112.662 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.21 16.01 3.67 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 119.118 -0.823 . . . . 0.0 111.674 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 119.63 155.54 0.0 OUTLIER Pre-proline 0 C--N 1.343 0.31 0 C-N-CA 130.978 3.711 . . . . 0.0 109.315 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.602 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 86.3 Cg_exo -44.92 132.69 10.82 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.554 3.502 . . . . 0.0 113.087 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -81.43 -19.9 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.668 2.912 . . . . 0.0 113.039 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -159.03 10.9 0.14 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -72.97 -19.28 61.26 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.751 -0.593 . . . . 0.0 111.495 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -157.69 168.55 26.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -144.38 169.92 17.0 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 122.544 0.338 . . . . 0.0 111.24 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.321 -178.375 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.556 0 C1'-O4'-C4' 106.694 -3.229 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.559 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 111.579 -2.614 . 0.036 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.602 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 N19-C1'-C2' 107.461 -3.712 . 0.256 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.456 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 O4'-C1'-N19 115.106 6.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 0 C5'-C4'-O4' 112.581 2.415 . 0.132 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 O4'-C1'-N19 114.823 6.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -156.26 164.35 38.44 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.514 0.326 . . . . 0.0 110.266 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -145.26 179.51 7.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.214 0.606 . . . . 0.0 110.194 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.68 177.24 44.58 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -55.31 148.91 29.49 Favored Pre-proline 0 N--CA 1.448 -0.571 0 C-N-CA 123.739 0.815 . . . . 0.0 110.372 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 157.42 57.13 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 124.345 3.363 . . . . 0.0 111.213 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -53.73 157.95 9.15 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.936 3.091 . . . . 0.0 112.249 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.36 171.49 17.97 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.769 2.979 . . . . 0.0 111.036 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 56.08 17.62 2.77 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.018 1.327 . . . . 0.0 112.528 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.62 -13.36 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 122.059 -0.4 . . . . 0.0 111.254 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -72.49 -2.8 21.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.707 0.803 . . . . 0.0 111.452 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.35 36.03 1.3 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.638 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.56 172.79 11.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.827 0.813 . . . . 0.0 110.406 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.1 m -56.37 -34.12 66.35 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.836 0.855 . . . . 0.0 112.631 -172.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.7 m 42.26 43.07 2.8 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.39 1.076 . . . . 0.0 113.208 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.4 tm? -69.72 114.26 7.76 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 11.1 pttp -104.03 169.49 8.47 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 97.6 t -138.81 139.05 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.091 0.956 . . . . 0.0 109.786 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.68 -174.65 4.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.432 1.093 . . . . 0.0 112.176 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 77.79 -4.61 2.23 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 127.167 2.187 . . . . 0.0 114.422 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -54.97 168.24 0.32 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.068 0.849 . . . . 0.0 111.777 176.09 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.5 p -70.08 163.35 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.248 0.546 . . . . 0.0 111.984 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -74.18 7.15 2.92 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.821 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -118.74 -14.83 9.51 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.057 0.943 . . . . 0.0 111.526 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 26' ' ' SER . 72.0 m -70.04 169.07 14.14 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 171.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 72.5 m -141.71 158.71 62.17 Favored Pre-proline 0 C--N 1.331 -0.2 0 C-N-CA 122.632 0.373 . . . . 0.0 110.287 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 57.6 Cg_endo -69.67 -21.59 33.68 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.973 2.449 . . . . 0.0 112.5 -174.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.49 -30.42 53.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -48.27 62.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.57 -30.13 71.29 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.89 -43.89 97.86 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -84.85 -39.02 18.79 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 117.932 0.333 . . . . 0.0 110.875 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.25 -32.01 43.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.729 0.812 . . . . 0.0 111.128 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.1 m-85 -108.05 -10.35 15.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.957 0.344 . . . . 0.0 111.727 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.21 -26.22 65.61 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.357 -0.214 . . . . 0.0 111.084 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.51 -19.76 63.72 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.03 -0.419 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -80.5 -8.86 59.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.136 0.574 . . . . 0.0 111.009 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.73 -84.79 0.15 Allowed Glycine 0 C--N 1.338 0.681 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -152.63 126.64 9.07 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -56.23 -20.49 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 119.407 -0.33 . . . . 0.0 111.81 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.64 -49.43 2.03 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 124.98 1.276 . . . . 0.0 111.981 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.69 163.13 29.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.029 0.932 . . . . 0.0 108.695 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.06 132.45 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -152.53 172.61 16.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.715 0.406 . . . . 0.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 47' ' ' ARG . 22.1 mt -140.54 101.8 6.63 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.31 12.69 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.378 1 C-N-CA 126.98 5.12 . . . . 0.0 116.408 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 45' ' ' ILE . 63.4 ttt180 -50.51 139.99 14.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.791 0.836 . . . . 0.0 109.61 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.49 136.4 32.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.0 0.428 . . . . 0.0 111.307 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -77.49 0.7 21.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.367 1.067 . . . . 0.0 112.756 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.25 -12.91 0.41 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -129.87 -13.26 4.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.112 0.415 . . . . 0.0 111.27 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.1 23.24 1.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.83 -0.06 41.69 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m -117.53 33.58 5.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -68.56 0.96 3.5 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.6 0.36 . . . . 0.0 111.17 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.51 -8.95 34.91 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.062 0.839 . . . . 0.0 114.148 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.449 ' CD1' " H2'" ' B' ' 102' ' ' ' U' . 11.4 p90 -158.73 -176.83 6.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 1.212 . . . . 0.0 110.682 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.85 -176.9 5.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.519 0.728 . . . . 0.0 110.446 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.6 OUTLIER -145.33 79.46 1.58 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.214 0.606 . . . . 0.0 110.371 -176.421 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 99.4 t -76.35 159.97 5.09 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 169.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -157.09 103.41 2.02 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.611 1.096 . . . . 0.0 112.477 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -79.28 164.86 23.79 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.978 0.511 . . . . 0.0 109.919 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -131.22 10.03 4.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -133.68 129.59 37.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -61.38 -32.44 72.37 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -73.39 -39.39 65.14 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.836 0.744 . . . . 0.0 110.631 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.12 -29.71 54.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.05 71.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.206 0.602 . . . . 0.0 111.59 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.85 -34.37 73.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.741 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.39 -37.07 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.581 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.41 73.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.8 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -89.7 -29.06 19.02 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.497 0.589 . . . . 0.0 110.735 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.41 -9.87 51.37 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.875 0.307 . . . . 0.0 111.103 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.35 -7.11 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -122.97 -24.82 4.69 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 175.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.46 125.22 25.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 120.112 1.324 . . . . 0.0 109.859 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.77 0.79 88.69 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.226 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.51 -173.76 0.78 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.448 0.624 . . . . 0.0 111.071 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.0 145.65 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.404 0.682 . . . . 0.0 109.406 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 80' ' ' LEU . 3.1 tm? -105.52 -52.52 2.81 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.183 0.593 . . . . 0.0 109.801 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.57 -5.59 0.93 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.82 -14.42 0.34 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.769 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -92.62 -157.44 0.53 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 117.522 0.661 . . . . 0.0 109.712 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -113.46 168.74 9.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.51 159.22 41.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -143.57 139.52 29.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.413 0.285 . . . . 0.0 110.598 -173.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 16' ' ' LEU . 48.0 t -150.65 122.14 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -166.52 162.56 16.82 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.695 0.398 . . . . 0.0 110.708 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -62.88 151.66 38.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.932 0.493 . . . . 0.0 111.491 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.25 177.47 3.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -124.23 -12.22 7.39 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.75 0.82 . . . . 0.0 111.554 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -152.27 172.18 16.83 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.497 0.719 . . . . 0.0 109.387 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.87 10.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -153.57 152.06 26.56 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.966 1.707 . . . . 0.0 107.729 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.524 ' HD3' ' C6 ' ' B' ' 104' ' ' ' C' . 19.2 Cg_endo -56.01 132.49 52.29 Favored 'Trans proline' 0 N--CA 1.455 -0.774 1 C-N-CA 125.384 4.056 . . . . 0.0 110.486 176.321 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 71.1 Cg_exo -52.37 -30.59 43.85 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.753 2.969 . . . . 0.0 113.307 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -162.75 130.76 3.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.826 0.45 . . . . 0.0 110.251 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -167.57 -20.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.413 0.685 . . . . 0.0 111.087 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -153.44 34.07 0.46 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.022 0.929 . . . . 0.0 108.995 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -133.02 175.86 9.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.042 0.537 . . . . 0.0 111.238 -170.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.406 -1.283 . . . . 0.0 110.254 -179.138 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.449 " H2'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.411 -3.505 0 C3'-C2'-C1' 103.868 2.632 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.507 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-C3' 113.013 -1.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.524 ' C6 ' ' HD3' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 N19-C1'-C2' 105.773 -4.767 . 0.021 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 2 O4'-C1'-N19 117.024 8.824 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C3'-C2'-C1' 104.483 3.314 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 1 O4'-C1'-N19 114.663 6.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.533 0.206 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -142.65 5.8 1.6 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.733 0.413 . . . . 0.0 111.066 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -143.68 176.35 9.29 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.595 0.758 . . . . 0.0 109.63 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 169.44 42.56 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptm85 -53.07 151.23 9.26 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 123.892 0.877 . . . . 0.0 111.091 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.6 152.37 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 124.274 3.316 . . . . 0.0 110.074 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.93 161.94 42.3 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.61 2.873 . . . . 0.0 111.302 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -81.79 178.53 6.43 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.148 3.232 . . . . 0.0 110.975 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 58.9 17.98 5.78 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.032 1.333 . . . . 0.0 113.317 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.48 -19.36 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 122.029 -0.419 . . . . 0.0 110.729 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.26 -0.62 6.4 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.368 0.667 . . . . 0.0 111.427 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.83 22.27 3.14 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.08 0.848 . . . . 0.0 111.413 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.0 mtm -140.85 170.48 15.67 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.667 0.787 . . . . 0.0 109.969 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -64.62 163.61 13.41 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.952 0.501 . . . . 0.0 109.885 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 m -149.93 56.52 0.96 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.782 0.433 . . . . 0.0 110.385 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 24.6 tp -70.0 147.37 50.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 28.8 tttp -126.39 156.29 40.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.665 0.603 . . . . 0.0 110.406 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 65.8 t -138.06 139.1 42.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 124.619 1.168 . . . . 0.0 109.145 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -158.12 172.55 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 112.085 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 103.97 20.05 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.41 2.684 . . . . 0.0 111.741 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 173.38 0.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -89.34 168.12 12.49 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 123.079 0.551 . . . . 0.0 110.973 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 6.94 0.85 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 111.666 176.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -128.71 -9.05 5.03 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.983 0.913 . . . . 0.0 111.816 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 26' ' ' SER . 89.5 m -67.51 163.32 21.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.672 0.389 . . . . 0.0 110.473 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.409 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 54.6 m -144.68 160.87 45.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 C-N-CA 123.953 0.901 . . . . 0.0 109.106 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 55.9 Cg_endo -69.14 -20.15 38.16 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.196 1.931 . . . . 0.0 111.994 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.73 -32.74 35.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.75 0.704 . . . . 0.0 111.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -47.08 68.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.16 -23.97 66.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.724 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -65.42 -41.23 93.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.055 -0.403 . . . . 0.0 110.104 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -84.75 -39.96 17.85 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 122.354 0.262 . . . . 0.0 110.747 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.03 -35.32 51.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 123.142 0.577 . . . . 0.0 111.41 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -100.11 -11.5 20.45 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.66 -29.0 67.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.75 -21.46 60.19 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -83.14 -17.32 43.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.29 0.236 . . . . 0.0 111.331 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.25 -159.01 27.04 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -61.19 87.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.398 1.479 . . . . 0.0 112.541 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.54 61.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.11 -14.22 31.26 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.037 1.303 . . . . 0.0 113.427 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 2.8 t0 -151.21 162.94 39.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.765 0.782 . . . . 0.0 109.208 172.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 7.1 p -158.18 29.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -169.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.37 157.49 29.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -167.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.61 92.24 6.57 Favored Pre-proline 0 C--N 1.333 -0.11 0 C-N-CA 126.817 2.047 . . . . 0.0 106.155 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' CB ' " H5'" ' B' ' 104' ' ' ' C' . 26.2 Cg_exo -62.59 21.99 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 1 C-N-CA 125.37 4.047 . . . . 0.0 115.754 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -49.53 145.56 4.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.582 1.083 . . . . 0.0 109.269 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -40.65 121.98 1.57 Allowed 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 111.988 -169.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 7.9 ptm180 -70.34 12.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -137.25 -19.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.7 p -141.47 -2.41 1.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 37.56 55.73 1.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.364 1.466 . . . . 0.0 113.33 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -119.73 19.82 12.43 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -128.65 32.68 4.77 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.897 0.479 . . . . 0.0 111.023 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.14 -4.72 0.85 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.77 1.228 . . . . 0.0 111.926 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.34 3.4 2.49 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.033 1.302 . . . . 0.0 114.757 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -153.8 172.95 16.54 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.175 1.488 . . . . 0.0 110.588 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.08 175.11 10.11 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.351 0.66 . . . . 0.0 111.424 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.6 62.04 0.81 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.309 1.443 . . . . 0.0 108.087 -177.516 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 13.4 t -75.85 144.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . 22.3 ttp180 -144.94 157.92 43.98 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -126.94 159.07 35.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.137 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -126.89 14.37 7.41 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.132 0.573 . . . . 0.0 112.278 -174.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.93 136.61 35.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -63.74 -29.49 70.7 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.92 -41.53 61.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.741 0.7 . . . . 0.0 110.099 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -73.14 -29.48 62.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.49 35.67 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.763 -0.586 . . . . 0.0 110.424 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.76 -38.6 64.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.493 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.14 72.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.534 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.35 -29.43 20.3 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.643 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.98 -8.26 47.52 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.236 -0.29 . . . . 0.0 111.248 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.34 -7.17 2.95 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB2' HG21 ' A' ' 87' ' ' VAL . 3.9 mmt -123.92 -16.53 6.57 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.49 58.71 1.04 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.722 1.147 . . . . 0.0 111.639 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.48 -4.7 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.904 0.764 . . . . 0.0 112.182 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -177.23 1.02 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.703 0.801 . . . . 0.0 111.972 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.8 t -131.88 135.77 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.807 0.843 . . . . 0.0 108.963 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tt -92.81 -50.74 5.42 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.643 0.377 . . . . 0.0 110.423 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.85 -1.78 0.57 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.967 0.507 . . . . 0.0 112.095 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.09 -6.26 0.16 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 118.75 0.705 . . . . 0.0 113.727 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -115.77 -165.93 1.09 Allowed 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.283 1.042 . . . . 0.0 109.19 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.85 168.0 9.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -173.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.5 mt -129.5 157.85 40.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -135.38 136.51 41.51 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 75' ' ' MET . 55.5 t -148.18 119.79 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -160.61 168.38 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.041 0.536 . . . . 0.0 109.818 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.98 149.4 49.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.103 0.478 . . . . 0.0 111.418 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.32 -176.8 5.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.523 0.729 . . . . 0.0 112.395 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.453 ' HG2' ' C2 ' ' B' ' 103' ' ' ' C' . 39.2 ptt180 -139.85 177.33 8.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.02 0.928 . . . . 0.0 110.491 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 50.87 -163.05 0.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.973 0.909 . . . . 0.0 112.178 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.67 -33.76 0.37 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 146.1 11.89 Favored Pre-proline 0 N--CA 1.44 -0.961 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 169.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 30.6 Cg_endo -58.0 117.18 3.85 Favored 'Trans proline' 0 N--CA 1.453 -0.856 1 C-N-CA 125.743 4.295 . . . . 0.0 111.097 174.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.61 -1.16 11.36 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 124.149 3.233 . . . . 0.0 112.066 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -120.88 25.01 9.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.8 m -142.86 164.02 31.23 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.758 0.423 . . . . 0.0 111.003 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 48.39 38.64 10.99 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 113.063 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.19 -12.31 49.94 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.747 -0.596 . . . . 0.0 110.921 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.479 179.42 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 1 O4'-C1'-N19 113.455 5.255 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.453 ' C2 ' ' HG2' ' A' ' 91' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C5'-C4'-C3' 111.935 -2.377 . 0.405 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.6 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.389 1 N19-C1'-C2' 106.326 -4.421 . 0.226 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.601 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.781 2 O4'-C1'-N19 115.203 7.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C3'-C2'-C1' 104.939 3.822 . 0.145 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 1 O4'-C1'-N19 114.154 5.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.651 -0.129 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -138.65 21.9 2.7 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.004 0.522 . . . . 0.0 111.237 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.41 171.39 14.55 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.051 0.54 . . . . 0.0 110.149 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.89 170.09 39.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.4 ptm180 -64.94 150.05 95.67 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.577 0.751 . . . . 0.0 111.245 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 50.6 Cg_exo -54.16 160.19 6.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.926 3.751 . . . . 0.0 112.323 173.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.88 158.32 57.19 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.546 2.164 . . . . 0.0 110.193 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.55 20.64 0.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.952 3.768 . . . . 0.0 113.037 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.26 11.42 3.54 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.832 0.742 . . . . 0.0 111.972 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.92 -11.46 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.859 -0.525 . . . . 0.0 111.521 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.58 -0.49 26.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.965 0.506 . . . . 0.0 111.459 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 30.56 0.44 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -143.4 162.92 34.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.227 0.611 . . . . 0.0 109.927 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -56.27 152.25 11.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.076 0.55 . . . . 0.0 110.779 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 m -149.0 53.23 0.97 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.491 0.716 . . . . 0.0 110.058 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.8 tm? -68.77 98.59 0.93 Allowed 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.553 0.741 . . . . 0.0 109.895 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 40.4 tttp -81.07 155.24 26.41 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.497 0.719 . . . . 0.0 111.411 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 71.9 t -135.48 136.03 51.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.599 1.16 . . . . 0.0 108.738 176.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -157.32 -178.31 7.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 112.721 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t30 82.67 1.17 1.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.35 2.26 . . . . 0.0 114.456 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.907 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.47 173.53 0.26 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.749 0.82 . . . . 0.0 112.952 176.268 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 p -71.28 167.97 18.32 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 121.785 0.803 . . . . 0.0 112.586 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -76.33 11.19 1.64 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.138 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -127.6 -10.51 5.62 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.839 0.856 . . . . 0.0 111.55 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -69.05 164.7 21.84 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 64.4 m -138.39 163.26 48.48 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 66.6 Cg_endo -71.44 -21.19 26.5 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 121.857 1.705 . . . . 0.0 110.943 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.25 -33.33 63.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.316 -0.24 . . . . 0.0 110.947 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -38.02 61.93 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -71.82 -39.76 69.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.38 -44.11 68.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -71.1 -55.71 7.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 34' ' ' PHE . 13.6 p -66.88 -25.97 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -173.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.542 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.5 m-85 -89.5 -14.86 34.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.991 0.36 . . . . 0.0 111.025 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -59.22 -22.14 60.61 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -85.3 -20.85 29.39 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.844 -0.535 . . . . 0.0 112.083 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -82.22 -18.79 41.34 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 122.292 0.237 . . . . 0.0 110.548 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.23 -157.02 27.26 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-O 122.082 0.823 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -67.11 86.87 0.15 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 112.044 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.0 p -71.87 53.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 167.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.99 -13.29 13.54 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.04 1.305 . . . . 0.0 113.753 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -154.89 154.69 33.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.407 1.104 . . . . 0.0 109.261 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.01 132.43 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -146.67 161.2 41.07 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mt -145.77 90.98 5.75 Favored Pre-proline 0 C--O 1.232 0.157 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.0 -28.11 85.79 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.632 2.888 . . . . 0.0 114.414 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 30.6 ptt180 21.91 -101.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.114 1.766 . . . . 0.0 110.985 -172.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.544 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 14.2 m-20 -143.1 127.01 17.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 169.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.32 8.36 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -143.66 -14.06 0.66 Allowed 'General case' 0 C--N 1.339 0.128 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.9 p -138.76 -5.27 1.53 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 38.37 28.23 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.471 1.908 . . . . 0.0 115.296 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.43 12.01 11.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' GLY . 42.9 m -132.68 37.3 3.48 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.211 0.459 . . . . 0.0 112.006 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -65.48 8.24 0.18 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.898 0.879 . . . . 0.0 112.606 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -72.14 8.38 6.66 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.297 0.951 . . . . 0.0 113.684 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 11.3 p90 -157.44 177.22 11.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.449 1.124 . . . . 0.0 110.431 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.1 -173.47 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.051 0.54 . . . . 0.0 110.895 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.58 58.46 1.06 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.447 1.499 . . . . 0.0 107.634 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 15.4 t -66.72 148.73 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 174.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 16.1 ttp180 -143.68 143.78 31.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 119.057 0.844 . . . . 0.0 113.076 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -115.79 156.94 25.14 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.633 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -122.52 13.14 10.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.563 0.745 . . . . 0.0 112.462 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -140.74 136.02 32.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.86 -23.0 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.14 -40.54 67.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.276 0.943 . . . . 0.0 109.94 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.36 -30.71 60.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.1 74.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.724 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.07 -33.26 71.68 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -73.22 -39.52 65.45 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.54 0.609 . . . . 0.0 110.689 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.76 72.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.956 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -87.99 -28.41 21.45 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.639 0.654 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.39 -9.18 52.39 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.377 -0.202 . . . . 0.0 111.254 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.3 -4.49 3.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.489 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.4 mmt -124.35 -22.89 4.6 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.086 0.857 . . . . 0.0 113.213 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.57 125.71 27.04 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.942 1.246 . . . . 0.0 109.818 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.8 3.45 83.93 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.817 -0.435 . . . . 0.0 112.118 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 -177.08 1.3 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.684 0.742 . . . . 0.0 111.522 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.1 t -141.1 148.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 108.997 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -139.71 -7.39 1.27 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -155.85 7.97 0.24 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.341 0.518 . . . . 0.0 112.211 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.9 36.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -112.67 -149.98 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.552 0.741 . . . . 0.0 109.034 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -124.49 164.94 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.401 0.68 . . . . 0.0 109.479 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.428 HD21 HD22 ' A' ' 80' ' ' LEU . 88.7 mt -136.05 156.27 48.97 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -141.83 142.67 33.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.065 0.459 . . . . 0.0 111.227 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.527 ' CG1' HD11 ' A' ' 16' ' ' LEU . 57.2 t -152.82 123.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.598 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -167.55 162.77 14.51 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 122.598 0.359 . . . . 0.0 110.111 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.0 151.81 41.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.2 172.9 2.77 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.65 0.38 . . . . 0.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -135.95 -5.77 2.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -132.34 174.71 9.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.537 0.735 . . . . 0.0 110.445 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.39 11.51 26.14 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.744 -1.031 . . . . 0.0 111.981 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 118.3 154.17 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.278 0 C-N-CA 130.511 3.524 . . . . 0.0 109.696 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.518 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 50.2 Cg_exo -47.61 128.74 15.9 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.47 3.447 . . . . 0.0 111.642 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -79.13 -11.7 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.347 2.698 . . . . 0.0 111.973 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -157.28 31.35 0.29 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.826 0.45 . . . . 0.0 110.696 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.9 p 38.55 -112.47 0.11 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.494 1.117 . . . . 0.0 111.57 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -150.67 11.31 0.67 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.613 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -152.3 171.64 17.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.203 0.601 . . . . 0.0 110.661 -175.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.087 -179.782 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.491 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 O4'-C1'-N19 114.665 6.465 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.486 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C5'-C4'-C3' 112.031 -2.312 . 0.546 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.518 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 N19-C1'-C2' 106.18 -4.512 . 0.28 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 2 O4'-C1'-N19 117.787 9.587 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 104.734 3.593 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 113.494 5.294 . 0.022 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.577 0.227 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -159.52 -175.11 5.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.5 171.56 14.08 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.821 0.82 . . . . 0.0 111.923 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 19.07 0.37 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -152.02 131.46 6.8 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.9 120.17 5.68 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.445 2.764 . . . . 0.0 112.12 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.1 169.09 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.865 3.043 . . . . 0.0 109.87 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.52 156.85 60.5 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.234 2.623 . . . . 0.0 109.549 173.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -154.96 11.48 0.36 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.62 -2.89 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.0 -9.58 58.26 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.578 -0.701 . . . . 0.0 112.022 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.62 28.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.555 -0.58 . . . . 0.0 111.662 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -138.09 -175.48 4.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.162 0.585 . . . . 0.0 110.688 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -123.29 -173.07 2.64 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.056 0.942 . . . . 0.0 108.696 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -149.24 126.58 11.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.922 -0.487 . . . . 0.0 110.805 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.25 111.9 15.78 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.171 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 50.5 tttp -77.77 142.52 38.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 123.82 0.7 . . . . 0.0 111.291 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 60' ' ' VAL . 50.3 t -128.14 134.4 65.12 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -152.15 -172.79 4.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.577 1.151 . . . . 0.0 112.3 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.49 89.85 0.07 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 112.499 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.8 pp -139.4 171.85 13.66 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.932 0.493 . . . . 0.0 112.002 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.0 p -67.02 164.38 17.9 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 121.188 0.518 . . . . 0.0 111.572 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.48 12.14 0.38 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 0.0 111.295 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -128.13 -16.73 4.47 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.253 0.621 . . . . 0.0 112.311 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.7 m -65.16 160.72 20.64 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.571 0.623 . . . . 0.0 109.59 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 11.7 p -141.98 167.49 16.57 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.609 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 59.0 Cg_endo -68.79 -19.27 41.23 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.386 2.058 . . . . 0.0 111.6 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.17 -32.17 44.14 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -52.7 39.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 21' ' ' LEU . 60.2 mt -61.83 -35.04 77.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.5 tpt180 -57.96 -42.95 86.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -86.07 -37.43 18.87 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 122.985 0.514 . . . . 0.0 111.668 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.9 -33.86 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 110.828 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 41.3 m-85 -106.43 -11.13 16.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.569 0.348 . . . . 0.0 111.864 -174.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' ARG . 23.1 tt0 -69.07 -20.85 64.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.231 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.06 -18.97 62.54 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 122.062 -0.399 . . . . 0.0 111.746 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.41 -16.87 35.9 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.702 0.801 . . . . 0.0 110.97 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.73 -172.58 23.56 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -66.99 113.02 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.25 -6.47 3.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.49 -60.96 0.64 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 125.814 1.674 . . . . 0.0 113.313 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -152.45 169.84 21.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 109.495 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.0 t -143.91 137.25 24.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.442 ' CD2' " H1'" ' B' ' 104' ' ' ' C' . 40.3 t80 -151.62 163.16 39.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.17 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.2 mt -144.33 100.43 4.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -54.65 20.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 1 C-N-CA 126.923 5.082 . . . . 0.0 116.877 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -47.1 122.72 4.68 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.68 131.95 25.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.113 0.482 . . . . 0.0 111.125 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 50.0 ttt-85 -67.07 -4.92 11.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.802 1.241 . . . . 0.0 113.692 -171.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -144.0 -11.1 0.66 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -135.52 -4.0 2.33 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 118.422 0.555 . . . . 0.0 111.814 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 46.88 19.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.612 1.565 . . . . 0.0 114.829 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 15.58 0.1 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -134.58 17.91 3.61 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.488 0.585 . . . . 0.0 111.297 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -11.52 27.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.981 0.913 . . . . 0.0 111.937 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.97 4.23 58.48 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.161 -0.8 . . . . 0.0 114.373 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -154.74 -175.13 5.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 1.442 . . . . 0.0 110.974 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.2 -176.72 5.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.247 0.546 . . . . 0.0 111.882 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.47 71.51 0.94 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 109.235 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 18' ' ' VAL . 1.3 m -69.32 163.05 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -147.57 84.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.858 0.754 . . . . 0.0 112.689 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.75 148.13 47.67 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -104.77 -8.66 18.64 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.923 0.765 . . . . 0.0 112.258 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -127.45 132.01 50.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.431 0.634 . . . . 0.0 109.774 -175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -67.89 -27.14 66.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.569 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -71.18 -43.11 68.1 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 118.618 0.645 . . . . 0.0 110.186 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -71.85 -28.46 63.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.27 -40.7 43.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.52 -32.19 71.97 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.832 -0.542 . . . . 0.0 110.857 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -73.44 -39.26 65.13 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.377 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.291 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -88.57 -28.17 20.9 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.515 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.75 -10.0 59.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.097 0.159 . . . . 0.0 111.371 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.29 -6.7 4.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.9 mmt -119.95 -23.35 6.42 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.01 122.19 17.21 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 120.177 1.353 . . . . 0.0 110.21 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.34 3.09 81.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.226 0.441 . . . . 0.0 112.112 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.32 -173.47 1.71 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.502 0.651 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.8 t -137.65 147.58 26.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.793 0.837 . . . . 0.0 109.993 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 82' ' ' GLY . 19.2 tp -148.37 119.76 7.89 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.348 1.059 . . . . 0.0 108.285 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t70 62.7 -11.26 0.08 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.855 0.862 . . . . 0.0 112.906 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 131.84 -3.56 5.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 118.476 0.58 . . . . 0.0 111.975 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HD2' HD21 ' A' ' 85' ' ' LEU . 18.4 ptp180 -74.93 -163.75 0.24 Allowed 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 124.46 1.104 . . . . 0.0 111.743 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.94 158.08 29.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 83' ' ' ARG . 75.7 mt -132.52 150.4 52.16 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -176.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 27.1 mmt180 -142.85 135.13 27.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.175 0.59 . . . . 0.0 110.215 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -151.77 124.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 123.848 0.859 . . . . 0.0 108.741 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -163.02 165.15 25.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.37 145.98 52.5 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.49 0.316 . . . . 0.0 110.315 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.94 9.85 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 111.371 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -146.11 -175.57 4.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.374 0.669 . . . . 0.0 110.94 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 56.26 -169.62 0.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.689 1.195 . . . . 0.0 112.91 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.92 43.16 1.3 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.894 -1.283 . . . . 0.0 109.894 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 67.03 151.85 0.12 Allowed Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.523 1.929 . . . . 0.0 112.486 -174.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 50.0 Cg_exo -49.23 120.55 5.75 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 125.3 4.0 . . . . 0.0 112.565 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -85.0 -15.73 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.452 2.768 . . . . 0.0 113.128 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -155.27 15.89 0.4 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.4 m -79.37 -4.46 51.06 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -153.69 6.53 0.34 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -6.91 34.94 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.124 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 2 O4'-C1'-N19 114.297 6.097 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C3'-C2'-C1' 103.91 2.677 . 0.164 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.573 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 C5'-C4'-C3' 110.053 -3.631 . 0.455 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.502 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.804 5.604 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 N19-C1'-C2' 107.717 -3.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 1 O4'-C1'-N19 113.515 5.315 . 0.431 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.407 0.146 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -142.92 9.96 1.75 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.214 0.605 . . . . 0.0 111.544 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 53.96 -173.87 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.579 1.152 . . . . 0.0 112.939 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.64 169.8 42.81 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -56.52 152.51 24.64 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 123.66 0.784 . . . . 0.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.19 159.69 52.21 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.403 3.402 . . . . 0.0 110.466 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.06 153.16 12.91 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.654 2.903 . . . . 0.0 112.488 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.25 9.71 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 124.237 3.292 . . . . 0.0 112.193 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 11' ' ' GLU . 27.1 t0 -139.27 24.22 2.51 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.773 -0.579 . . . . 0.0 111.527 -173.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.0 12.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.164 0.585 . . . . 0.0 112.057 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 9' ' ' ASP . 37.1 mt-10 -124.68 11.21 8.47 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.783 0.833 . . . . 0.0 109.793 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.32 17.9 2.09 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.075 0.845 . . . . 0.0 111.509 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.3 mtm -140.34 172.6 12.5 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.713 0.805 . . . . 0.0 110.014 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -63.52 159.25 19.03 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -150.76 125.75 9.84 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 98.17 5.01 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.175 0.297 . . . . 0.0 110.917 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 51.0 tttp -66.37 148.98 51.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.851 0.86 . . . . 0.0 111.031 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.406 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.5 t -133.66 131.87 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.89 -169.28 3.29 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.456 1.102 . . . . 0.0 111.101 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 53.7 98.34 0.01 OUTLIER 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.383 1.473 . . . . 0.0 111.975 -170.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -146.22 175.25 10.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.461 0.704 . . . . 0.0 110.96 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -83.28 168.91 16.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.404 0.621 . . . . 0.0 111.538 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.29 8.22 1.08 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.26 0.624 . . . . 0.0 111.229 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.62 -8.88 5.64 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 111.925 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -68.37 161.83 26.63 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -142.78 161.02 51.28 Favored Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 122.671 0.388 . . . . 0.0 110.098 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.39 -21.11 35.69 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.786 1.657 . . . . 0.0 111.376 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.32 -36.28 68.84 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.943 0.338 . . . . 0.0 110.562 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -66.86 -52.49 42.89 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.285 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 mt -58.24 -30.09 66.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.536 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.26 -47.03 86.16 Favored 'General case' 0 C--O 1.225 -0.229 0 O-C-N 122.052 -0.405 . . . . 0.0 110.147 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.663 0.665 . . . . 0.0 112.401 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 30' ' ' LEU . 14.9 m -63.76 -24.44 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.646 0.778 . . . . 0.0 111.526 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' HG23 ' A' ' 33' ' ' VAL . 47.3 m-85 -102.86 -16.89 15.76 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.85 -24.79 67.88 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.271 0.941 . . . . 0.0 111.292 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.25 -19.7 64.75 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -80.69 -11.72 59.58 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 122.975 0.51 . . . . 0.0 111.135 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.11 -82.3 0.15 Allowed Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -159.05 123.99 4.15 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 -21.45 15.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.677 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.73 -49.65 1.38 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.993 1.282 . . . . 0.0 112.103 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -155.46 158.98 39.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.724 1.21 . . . . 0.0 107.974 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.83 116.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -143.88 159.01 43.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -144.21 94.37 5.77 Favored Pre-proline 0 CA--C 1.53 0.208 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 174.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 61.7 Cg_endo -79.79 18.19 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 124.636 3.558 . . . . 0.0 113.248 -174.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 19.7 ptt180 -31.06 -66.51 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.354 1.462 . . . . 0.0 113.508 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.0 t70 -160.86 128.48 4.32 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 169.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.549 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 4.5 ptm180 -74.65 9.17 1.92 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -173.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -138.05 -22.77 1.05 Allowed 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.9 0.773 . . . . 0.0 112.864 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -133.54 -12.31 2.7 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -174.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 43.15 39.72 2.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.082 1.353 . . . . 0.0 114.165 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -89.01 -23.36 22.63 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 m -82.26 40.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 111.991 -175.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -58.95 0.18 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.355 1.462 . . . . 0.0 113.365 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.09 -1.81 28.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.26 -0.9 . . . . 0.0 114.858 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -154.07 -176.32 5.8 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.301 1.551 . . . . 0.0 112.322 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.69 -178.65 7.0 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.632 0.773 . . . . 0.0 111.171 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.442 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.8 OUTLIER -153.66 63.37 0.73 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.294 1.438 . . . . 0.0 109.06 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 17.1 t -69.42 150.04 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 169.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -145.5 104.17 3.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 119.838 1.199 . . . . 0.0 111.931 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -72.98 164.25 26.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -128.93 5.58 5.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -132.39 131.36 41.75 Favored 'General case' 0 C--N 1.339 0.128 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.11 -30.19 71.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.68 -43.34 66.18 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.763 0.71 . . . . 0.0 110.158 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -77.0 -24.76 52.18 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.75 39.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.342 0.257 . . . . 0.0 111.502 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.67 -32.01 71.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.431 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.78 -38.8 64.54 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.933 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.23 74.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 122.404 -0.185 . . . . 0.0 111.11 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -87.84 -29.08 21.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.06 -10.25 58.08 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.221 0.209 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.46 -7.55 4.69 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.8 mmt -119.65 -24.01 6.37 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.59 125.42 26.11 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 119.909 1.231 . . . . 0.0 109.746 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.78 1.62 84.29 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.508 -0.607 . . . . 0.0 112.532 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.24 1.05 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 117.717 0.758 . . . . 0.0 111.257 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.52 145.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 123.618 0.767 . . . . 0.0 109.04 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.95 -57.42 2.19 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 122.927 0.491 . . . . 0.0 110.83 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -131.54 -4.86 3.72 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -15.26 0.9 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -91.43 -158.15 0.55 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 117.572 0.686 . . . . 0.0 109.681 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -113.77 166.73 11.27 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.0 mt -131.72 155.49 47.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -140.95 139.62 34.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.024 0.44 . . . . 0.0 111.157 -175.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -152.11 124.67 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.231 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -161.92 166.49 26.1 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 117.745 0.248 . . . . 0.0 110.895 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.09 147.8 51.34 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.26 0.224 . . . . 0.0 110.588 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.61 176.64 7.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.253 0.221 . . . . 0.0 110.726 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -132.66 -7.59 3.21 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -134.37 174.43 10.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.447 0.699 . . . . 0.0 109.875 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.19 -44.69 2.33 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -175.1 153.26 1.55 Allowed Pre-proline 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.634 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.636 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 33.5 Cg_endo -60.05 148.34 89.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 1 C-N-CA 125.495 4.13 . . . . 0.0 112.285 178.127 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.97 -9.94 16.72 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 124.275 3.317 . . . . 0.0 112.254 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.61 158.98 40.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.229 0.612 . . . . 0.0 109.697 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.2 m -83.05 34.52 0.46 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 56.68 32.46 21.14 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -63.54 -9.94 15.64 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.162 -0.336 . . . . 0.0 111.486 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.125 -1.417 . . . . 0.0 110.815 178.896 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 113.806 5.606 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C5'-C4'-C3' 112.228 -2.182 . 0.014 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.636 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 N19-C1'-C2' 106.714 -4.179 . 0.332 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.549 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 113.204 5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C3'-C2'-C1' 104.337 3.152 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 1 O4'-C1'-N19 114.347 6.147 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -155.97 168.4 27.37 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.995 0.518 . . . . 0.0 110.008 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -140.21 175.72 9.36 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 175.09 36.86 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -56.54 153.99 18.82 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.093 0.957 . . . . 0.0 112.451 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.8 157.8 5.22 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.749 3.633 . . . . 0.0 112.014 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.94 160.54 4.05 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.164 3.243 . . . . 0.0 112.124 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.75 167.29 26.97 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.008 2.472 . . . . 0.0 110.067 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 54.82 21.1 3.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.558 1.143 . . . . 0.0 112.362 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.6 -19.32 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.748 0.308 . . . . 0.0 111.439 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.97 1.61 8.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 0.0 111.238 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.89 22.01 3.49 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.04 0.828 . . . . 0.0 111.956 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mtm -137.9 165.22 27.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.202 0.601 . . . . 0.0 110.359 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 t -75.68 175.61 8.47 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.45 132.51 17.25 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.029 0.931 . . . . 0.0 108.699 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 10.7 tp -130.12 95.96 4.06 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.932 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -66.52 150.65 48.65 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.791 1.236 . . . . 0.0 111.349 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 95.1 t -135.47 138.21 48.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.55 1.14 . . . . 0.0 108.69 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.95 -178.83 7.51 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.551 0.74 . . . . 0.0 112.715 -173.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 80.82 13.6 0.75 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.386 1.874 . . . . 0.0 114.549 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -59.06 176.7 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.107 0.867 . . . . 0.0 112.35 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 p -82.24 172.06 13.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.288 0.566 . . . . 0.0 111.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -79.73 9.83 4.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.513 0.725 . . . . 0.0 110.699 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -126.02 -16.74 5.5 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.69 0.796 . . . . 0.0 112.046 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.1 m -78.27 164.7 24.65 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -137.22 159.92 67.8 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -65.59 -17.22 56.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.62 2.213 . . . . 0.0 111.944 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.01 -32.68 45.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -47.86 66.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.9 -29.39 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.49 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 tpt85 -63.33 -41.6 98.9 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -84.65 -38.74 19.45 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 122.049 -0.407 . . . . 0.0 110.819 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.3 -33.83 55.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 123.792 0.837 . . . . 0.0 111.407 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.1 m-85 -101.98 -11.08 19.21 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.085 0.402 . . . . 0.0 111.876 -176.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.51 -30.34 70.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.5 -20.7 61.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.51 -13.7 59.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.486 -0.293 . . . . 0.0 110.911 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.01 -62.73 0.47 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.941 169.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -152.27 93.68 1.84 Allowed 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 122.049 0.928 . . . . 0.0 112.389 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -78.31 63.56 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.56 -32.82 2.08 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.721 1.153 . . . . 0.0 111.982 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.03 171.17 16.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.391 0.595 . . . . 0.0 109.872 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.79 138.56 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.434 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -147.13 166.85 25.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 47' ' ' ARG . 23.0 mt -140.96 102.26 6.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.7 16.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.4 1 C-N-CA 126.634 4.89 . . . . 0.0 116.435 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 45' ' ' ILE . 56.2 ttp180 -48.61 131.5 17.61 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.96 128.73 28.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.058 0.456 . . . . 0.0 110.672 -174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -75.55 5.8 5.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.615 1.166 . . . . 0.0 113.162 -171.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -140.65 -16.54 0.9 Allowed 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.0 p -136.66 -5.05 1.99 Allowed 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.172 0.442 . . . . 0.0 111.886 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 46.45 24.99 0.34 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.421 1.488 . . . . 0.0 114.171 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.18 13.28 1.52 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -132.16 25.16 4.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.618 0.644 . . . . 0.0 111.48 -174.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -70.36 2.76 3.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.535 1.134 . . . . 0.0 112.882 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.09 -1.56 90.03 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-O 118.942 -0.921 . . . . 0.0 113.934 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.447 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 33.3 p90 -156.11 -176.05 5.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.937 1.368 . . . . 0.0 111.262 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.02 -176.41 4.99 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.201 0.601 . . . . 0.0 112.02 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.4 OUTLIER -147.3 59.33 1.16 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.319 1.448 . . . . 0.0 108.941 -177.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 12.7 t -68.17 152.27 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 14.0 ttp-105 -143.89 141.36 30.25 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -108.31 165.63 11.36 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.876 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -135.27 13.13 3.54 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.478 0.711 . . . . 0.0 112.518 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.52 135.88 33.92 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.16 -36.24 79.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -70.34 -41.61 72.97 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.652 0.66 . . . . 0.0 110.188 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -77.44 -27.66 52.27 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -36.55 50.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.14 -32.98 71.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.011 0.368 . . . . 0.0 110.528 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -73.02 -38.78 66.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.433 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.87 71.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.789 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -91.79 -26.44 18.55 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.989 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.08 -7.23 47.75 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.326 0.25 . . . . 0.0 111.086 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.27 -7.35 2.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 mmt -120.45 -22.5 6.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.947 0.794 . . . . 0.0 112.829 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.29 126.52 28.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.003 1.274 . . . . 0.0 109.888 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.82 3.25 83.71 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.799 -0.445 . . . . 0.0 112.301 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -175.36 0.92 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.714 0.757 . . . . 0.0 111.031 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.74 146.24 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.409 0.684 . . . . 0.0 109.176 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -108.15 -52.7 2.73 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.677 0.391 . . . . 0.0 109.958 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.73 -3.51 1.28 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.95 -16.21 0.61 Allowed Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.541 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -93.64 -160.88 0.8 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.778 0.789 . . . . 0.0 109.668 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -109.94 168.3 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.93 155.47 50.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -141.65 148.72 39.61 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.305 0.574 . . . . 0.0 110.805 -173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -164.28 131.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.495 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -165.36 169.71 15.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.388 0.675 . . . . 0.0 109.836 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.6 mmt -64.11 151.44 43.17 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.776 0.322 . . . . 0.0 110.664 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.84 175.19 5.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.842 0.457 . . . . 0.0 111.573 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -125.85 -8.14 6.68 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.235 0.614 . . . . 0.0 112.195 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -150.18 176.68 10.62 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-N 118.318 0.508 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.46 20.45 20.79 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 117.75 147.38 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.227 0 C-N-CA 131.307 3.843 . . . . 0.0 109.387 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.534 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 32.5 Cg_endo -60.21 143.28 99.53 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 124.528 3.485 . . . . 0.0 110.734 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 62.0 Cg_exo -53.44 -26.78 37.16 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.28 3.32 . . . . 0.0 113.81 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -155.88 170.35 22.3 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m -49.03 -49.56 40.58 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -170.77 29.35 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 122.532 0.333 . . . . 0.0 110.341 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -132.95 5.13 3.86 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -170.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.253 1.239 0 CA-C-O 117.319 -1.325 . . . . 0.0 110.283 179.673 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.447 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.416 -3.085 1 O4'-C1'-N19 112.948 4.748 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 C5'-C4'-C3' 106.398 -6.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.534 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 N19-C1'-C2' 107.586 -3.634 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 O4'-C1'-N19 117.745 9.545 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-O4' 112.715 2.511 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 114.23 6.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -144.7 15.21 1.58 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.135 0.574 . . . . 0.0 111.16 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -64.86 170.82 3.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.586 0.707 . . . . 0.0 111.871 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.68 165.41 38.64 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -58.37 148.38 64.31 Favored Pre-proline 0 N--CA 1.452 -0.352 0 CA-C-N 117.356 0.578 . . . . 0.0 111.005 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.62 156.86 62.56 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.615 2.877 . . . . 0.0 109.45 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.87 153.76 58.51 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.774 2.316 . . . . 0.0 110.779 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.07 12.95 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.498 3.465 . . . . 0.0 112.079 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -139.26 16.88 2.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.767 0.427 . . . . 0.0 110.944 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.36 -21.28 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 122.981 0.512 . . . . 0.0 111.362 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.53 2.28 10.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.565 0.746 . . . . 0.0 111.296 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.58 25.53 2.71 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.129 0.871 . . . . 0.0 111.081 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.2 mtp -134.0 160.64 37.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.783 0.833 . . . . 0.0 109.386 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -69.41 164.62 22.6 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.9 p -152.85 138.37 17.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.084 0.554 . . . . 0.0 109.522 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 87' ' ' VAL . 9.0 tp -142.76 93.71 2.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.351 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.8 tttp -61.29 150.65 34.18 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 123.934 0.894 . . . . 0.0 111.395 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 61.2 t -135.55 133.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.705 1.202 . . . . 0.0 107.806 174.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -154.78 -173.75 4.7 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t30 72.9 1.65 4.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.158 2.183 . . . . 0.0 114.805 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.835 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -56.37 170.7 0.34 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.434 0.694 . . . . 0.0 112.788 175.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -74.09 169.32 17.76 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.734 0.778 . . . . 0.0 112.541 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -77.42 10.13 2.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.751 0.82 . . . . 0.0 111.044 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -125.76 -8.01 6.74 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.027 0.931 . . . . 0.0 111.515 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -65.17 166.85 9.01 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 75.3 m -138.22 163.1 49.9 Favored Pre-proline 0 N--CA 1.456 -0.16 0 O-C-N 121.882 -0.511 . . . . 0.0 111.324 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.5 Cg_endo -69.82 -27.56 26.06 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.434 2.089 . . . . 0.0 111.413 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.42 -29.97 59.9 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.523 0.147 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -72.09 -56.59 5.35 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' A' ' 33' ' ' VAL . 20.6 mt -58.66 -29.0 66.24 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.593 -173.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HD2' HG11 ' A' ' 40' ' ' VAL . 13.1 tpt180 -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.688 174.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm105 -89.83 -41.81 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.369 0.531 . . . . 0.0 112.336 -172.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.3 m -64.95 -22.26 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.815 0.846 . . . . 0.0 111.288 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 47.5 m-85 -104.72 -19.06 14.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.51 -23.79 67.39 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.699 0.681 . . . . 0.0 110.43 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.34 -21.43 62.05 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.818 0.447 . . . . 0.0 111.92 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.68 -14.01 61.08 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 122.477 0.311 . . . . 0.0 110.644 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.92 -74.79 0.18 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.72 119.16 5.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG11 ' HD2' ' A' ' 31' ' ' ARG . 8.7 p -56.59 -19.73 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.178 0.591 . . . . 0.0 111.254 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 -58.4 2.47 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 125.016 1.293 . . . . 0.0 111.879 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -162.34 164.55 27.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.523 1.129 . . . . 0.0 108.298 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.6 p -150.78 134.37 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -146.49 156.86 43.58 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.37 94.65 5.63 Favored Pre-proline 0 N--CA 1.456 -0.147 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -62.25 -25.74 76.96 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.73 2.953 . . . . 0.0 114.665 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 27.5 ptt180 20.93 -97.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.791 1.636 . . . . 0.0 111.635 -171.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.2 t70 -153.79 129.3 9.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.58 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 2.7 ptm180 -75.32 10.08 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -134.47 -17.08 2.04 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.882 0.765 . . . . 0.0 112.361 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 p -133.99 -12.56 2.53 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 122.767 0.427 . . . . 0.0 111.67 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 36.88 44.23 0.34 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.143 1.777 . . . . 0.0 113.825 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.02 27.97 5.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.837 0.455 . . . . 0.0 111.669 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' GLY . 51.0 m -128.47 35.42 4.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.439 0.695 . . . . 0.0 110.652 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -66.68 15.87 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.901 1.28 . . . . 0.0 112.125 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -67.83 -0.87 15.19 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.606 -0.684 . . . . 0.0 113.14 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -155.78 177.58 11.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.01 0.905 . . . . 0.0 109.964 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.62 -175.32 4.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.675 0.75 . . . . 0.0 110.998 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.24 62.74 1.03 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.474 1.51 . . . . 0.0 107.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -68.34 144.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 106.014 -1.846 . . . . 0.0 106.014 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -143.71 105.06 4.27 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 120.323 1.419 . . . . 0.0 112.527 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.61 167.45 21.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -138.9 12.0 2.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.86 137.3 43.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.06 -34.9 79.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -67.23 -40.71 86.36 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.704 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.08 -16.85 28.84 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.19 -37.53 57.72 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.404 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.07 -34.2 68.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.116 -0.365 . . . . 0.0 110.449 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.27 -40.81 70.73 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.082 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.71 85.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.264 -0.273 . . . . 0.0 110.774 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -81.1 -29.32 34.92 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.349 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.54 -10.44 58.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.218 -0.301 . . . . 0.0 111.404 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.8 -6.29 3.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.413 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.4 mmt -122.63 -25.12 4.76 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.37 123.3 19.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.772 1.169 . . . . 0.0 109.461 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.8 1.95 90.62 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.7 -173.02 0.7 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.378 0.589 . . . . 0.0 111.3 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -134.17 148.46 30.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.67 -52.89 2.75 Favored 'General case' 0 C--N 1.339 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -139.96 -4.32 1.37 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.4 -13.81 0.71 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 122.088 -0.383 . . . . 0.0 112.253 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -90.95 -156.92 0.46 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.043 0.537 . . . . 0.0 109.806 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -115.36 166.65 11.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.588 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.03 160.91 36.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mmt-85 -143.09 139.81 30.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.294 0.237 . . . . 0.0 110.391 -173.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 18' ' ' VAL . 60.8 t -150.52 121.25 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.39 167.51 25.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.738 0.415 . . . . 0.0 110.089 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.4 149.58 37.96 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.536 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 177.48 7.56 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.845 0.458 . . . . 0.0 112.143 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -135.88 171.88 13.83 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.098 0.959 . . . . 0.0 110.981 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 51.76 -165.18 0.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.055 1.342 . . . . 0.0 113.373 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.09 12.78 6.06 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 119.005 -0.886 . . . . 0.0 111.719 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 119.38 152.5 0.0 OUTLIER Pre-proline 0 C--N 1.346 0.414 0 C-N-CA 130.402 3.481 . . . . 0.0 110.024 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.586 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 83.0 Cg_exo -43.42 109.57 0.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 1 C-N-CA 125.34 4.027 . . . . 0.0 114.448 -176.031 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.44 -8.74 10.48 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.923 3.082 . . . . 0.0 112.74 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -143.36 44.4 1.53 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.255 0.622 . . . . 0.0 111.664 -174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.5 m -136.86 177.47 7.83 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.671 0.388 . . . . 0.0 110.433 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 45.52 28.71 0.53 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.325 1.45 . . . . 0.0 113.767 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 5.01 3.24 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.249 0.62 . . . . 0.0 111.914 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.22 -1.371 . . . . 0.0 111.483 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.511 0 O4'-C1'-N19 111.136 2.936 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.419 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C5'-C4'-C3' 111.59 -2.607 . 0.058 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.586 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 N19-C1'-C2' 106.908 -4.057 . 0.135 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.58 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.568 2 O4'-C1'-N19 114.551 6.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 1 C5'-C4'-C3' 109.391 -4.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 O4'-C1'-N19 114.512 6.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -144.24 6.47 1.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.198 0.599 . . . . 0.0 111.169 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -143.26 174.8 10.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.492 0.717 . . . . 0.0 110.032 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.18 165.92 34.46 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -62.72 155.26 71.05 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 123.418 0.687 . . . . 0.0 111.058 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.46 154.93 7.86 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 124.353 3.369 . . . . 0.0 111.27 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.08 161.74 43.82 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.113 2.542 . . . . 0.0 110.492 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.25 169.1 23.07 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.598 2.865 . . . . 0.0 110.572 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 54.38 23.1 4.18 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.142 0.977 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.77 -20.26 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.72 0.295 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.64 3.31 6.5 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.649 0.78 . . . . 0.0 111.354 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.68 25.51 2.57 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.818 0.723 . . . . 0.0 111.657 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.6 mtm -138.41 172.27 13.15 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 117.457 0.629 . . . . 0.0 110.418 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -62.16 165.48 5.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.369 0.668 . . . . 0.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 p -150.91 52.3 0.86 Allowed 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 122.928 0.491 . . . . 0.0 110.592 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.74 149.01 51.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 10.4 pttp -128.67 166.23 19.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 118.654 0.661 . . . . 0.0 112.669 169.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 69.3 t -140.95 137.22 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.471 1.109 . . . . 0.0 109.373 -175.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -154.41 178.0 10.53 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.538 0.735 . . . . 0.0 112.57 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 t30 84.57 28.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.236 1.814 . . . . 0.0 113.967 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 177.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 112.694 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -95.87 169.1 10.23 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 122.889 0.476 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -69.93 6.72 1.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.211 0.604 . . . . 0.0 111.823 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -128.06 -6.66 5.48 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.992 0.917 . . . . 0.0 111.586 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.3 m -71.81 163.95 26.89 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -143.17 160.82 50.91 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 123.58 0.752 . . . . 0.0 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.67 -17.68 33.26 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 121.669 1.579 . . . . 0.0 110.852 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.38 -43.3 64.18 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 122.151 -0.343 . . . . 0.0 110.329 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -65.37 -52.04 56.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.288 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HA ' HG22 ' A' ' 33' ' ' VAL . 40.6 mt -57.88 -28.06 63.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.277 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.13 -48.9 74.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.715 0.689 . . . . 0.0 109.838 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.21 -42.87 20.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.4 m -66.64 -23.48 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.587 0.755 . . . . 0.0 111.265 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.8 -16.76 19.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.423 0.556 . . . . 0.0 112.335 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.68 -22.71 62.34 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.227 0.467 . . . . 0.0 111.786 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -75.21 -22.04 58.23 Favored 'General case' 0 C--N 1.337 0.055 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -83.54 -17.38 42.02 Favored 'General case' 0 CA--C 1.523 -0.09 0 C-N-CA 122.535 0.334 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.27 -160.01 27.79 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -60.7 90.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.523 1.529 . . . . 0.0 112.363 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.8 p -72.84 54.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.058 1.343 . . . . 0.0 107.479 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.54 -12.78 6.74 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 125.034 1.302 . . . . 0.0 113.466 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.63 146.68 27.42 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.817 0.809 . . . . 0.0 109.657 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.1 p -155.34 117.85 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -148.46 168.0 23.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.723 -173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.73 98.37 6.41 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -55.18 13.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 1 C-N-CA 126.177 4.585 . . . . 0.0 117.072 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -58.79 158.92 7.41 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.3 0.955 . . . . 0.0 109.957 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.41 126.4 15.04 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.416 0.626 . . . . 0.0 111.15 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.52 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 54.9 ttt-85 -67.64 -1.23 4.84 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.745 1.218 . . . . 0.0 113.0 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.85 -11.85 0.87 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -137.38 -1.83 2.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 118.117 0.417 . . . . 0.0 111.291 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.94 53.92 0.18 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.153 1.781 . . . . 0.0 113.579 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -115.06 16.13 17.09 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -128.79 28.17 5.39 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.271 0.629 . . . . 0.0 110.321 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -65.84 8.83 0.16 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.376 1.47 . . . . 0.0 112.934 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.03 -2.49 31.51 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.884 0.754 . . . . 0.0 113.365 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -155.09 -175.21 5.32 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.413 1.107 . . . . 0.0 111.238 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.74 -178.42 5.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.264 0.625 . . . . 0.0 110.521 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -149.92 68.99 1.01 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.315 0.646 . . . . 0.0 110.546 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.0 t -77.38 158.35 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 172.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.1 ttp-105 -151.94 156.37 39.93 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.198 0.908 . . . . 0.0 113.055 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -125.05 161.31 27.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.656 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -127.01 15.87 7.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -141.99 137.11 30.95 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.656 -0.652 . . . . 0.0 109.304 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.35 -30.14 71.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.27 -41.44 63.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.769 0.713 . . . . 0.0 109.718 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.96 -30.4 63.82 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.53 48.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.48 -33.19 70.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.595 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -72.82 -38.44 67.15 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.303 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.13 71.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.412 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -90.08 -28.38 19.05 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.296 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.0 -9.92 49.47 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.824 0.283 . . . . 0.0 111.352 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.72 -6.74 3.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.8 mmt -119.23 -26.29 5.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.661 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.39 124.98 25.5 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.92 1.236 . . . . 0.0 109.864 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.26 0.23 89.53 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.146 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -175.88 1.64 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.702 0.751 . . . . 0.0 110.945 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.4 144.19 35.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.76 -53.14 2.68 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.713 0.405 . . . . 0.0 110.333 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -137.64 -4.85 1.79 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.28 -10.07 0.84 Allowed Glycine 0 CA--C 1.528 0.86 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.939 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -103.01 -162.82 0.94 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.435 0.617 . . . . 0.0 109.507 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -106.07 168.45 9.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.67 151.29 51.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.8 mmt180 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -149.94 119.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.839 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -162.62 164.61 26.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.44 145.11 56.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.473 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.3 -178.13 4.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.149 0.58 . . . . 0.0 111.438 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -137.47 -9.11 1.68 Allowed 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 123.297 0.639 . . . . 0.0 112.131 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -134.07 179.17 6.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.522 0.729 . . . . 0.0 109.643 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.63 -31.58 1.22 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -156.79 142.4 12.68 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 125.153 1.381 . . . . 0.0 108.617 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.619 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 76.5 Cg_exo -45.78 142.91 7.11 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 125.087 3.858 . . . . 0.0 112.177 172.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.46 -25.69 10.93 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.942 2.428 . . . . 0.0 110.271 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.99 128.84 2.03 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.242 1.017 . . . . 0.0 108.74 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.9 p -163.95 -20.26 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -144.61 161.29 39.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -146.9 8.48 0.97 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -173.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.438 -179.615 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 1 O4'-C1'-N19 114.935 6.735 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.455 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-C3' 112.899 -1.734 . 0.353 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.619 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 N19-C1'-C2' 106.863 -4.086 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.52 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.774 2 O4'-C1'-N19 115.942 7.742 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-C3' 110.399 -3.401 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 1 O4'-C1'-N19 114.498 6.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m -142.27 8.31 1.81 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.977 0.511 . . . . 0.0 111.404 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -142.59 175.8 9.52 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.404 0.682 . . . . 0.0 110.354 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 169.22 41.56 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -55.58 145.93 47.33 Favored Pre-proline 0 N--CA 1.451 -0.39 0 C-N-CA 123.764 0.825 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.14 163.32 39.59 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 124.911 3.74 . . . . 0.0 111.915 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -52.05 154.19 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 124.083 3.189 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.47 12.78 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 124.401 3.4 . . . . 0.0 112.386 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 11' ' ' GLU . 24.3 t0 -137.71 20.03 2.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.187 0.449 . . . . 0.0 111.72 -174.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.15 9.44 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 121.809 -0.557 . . . . 0.0 111.947 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 9' ' ' ASP . 38.2 mt-10 -121.02 10.28 10.74 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.875 0.87 . . . . 0.0 109.839 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 12.79 5.19 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.737 1.16 . . . . 0.0 110.855 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.1 mtm -142.46 -179.84 6.52 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.805 1.242 . . . . 0.0 108.699 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -58.3 162.36 3.67 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.6 p -149.75 46.88 0.94 Allowed 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.196 -0.315 . . . . 0.0 111.723 -172.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -65.23 151.7 45.52 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 13.8 pttp -132.98 167.72 19.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 118.523 0.602 . . . . 0.0 111.694 168.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.3 t -138.95 141.97 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.921 0.888 . . . . 0.0 109.658 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -152.66 -175.33 5.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.035 0.934 . . . . 0.0 112.118 -174.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 66.42 35.94 5.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.139 1.375 . . . . 0.0 114.11 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 179.91 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.21 0.604 . . . . 0.0 112.213 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -98.06 164.55 12.3 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.3 0.64 . . . . 0.0 111.166 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -68.5 5.32 1.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.525 0.33 . . . . 0.0 111.855 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -123.09 -8.12 8.27 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.248 1.019 . . . . 0.0 111.089 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 26' ' ' SER . 91.5 m -69.33 165.19 21.2 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' THR . 87.7 p -146.58 164.32 24.78 Favored Pre-proline 0 C--N 1.333 -0.129 0 C-N-CA 123.718 0.807 . . . . 0.0 109.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.86 -19.73 35.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 121.514 1.476 . . . . 0.0 110.497 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.19 -35.58 36.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.813 0.279 . . . . 0.0 110.381 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -66.29 -54.12 28.6 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 176.052 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HA ' HG22 ' A' ' 33' ' ' VAL . 34.1 mt -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.19 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.87 -46.88 85.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.491 0.587 . . . . 0.0 110.138 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -85.02 -43.42 13.97 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.416 0.553 . . . . 0.0 112.461 -174.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.2 m -65.47 -21.34 29.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 123.69 0.796 . . . . 0.0 111.658 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -102.8 -17.41 15.59 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.393 0.542 . . . . 0.0 111.893 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.41 -24.14 67.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.803 -0.56 . . . . 0.0 110.623 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.99 -21.36 65.96 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -78.68 -9.54 59.44 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 123.272 0.629 . . . . 0.0 110.732 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.15 -78.69 0.19 Allowed Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -166.41 120.76 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.579 1.152 . . . . 0.0 108.431 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.1 130.89 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -79.23 -21.54 67.27 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -167.65 169.38 11.91 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.908 0.883 . . . . 0.0 109.673 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.43 128.05 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.229 0.612 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.41 166.77 29.1 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -140.92 96.21 7.43 Favored Pre-proline 0 C--O 1.232 0.141 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -60.07 19.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.395 1 C-N-CA 125.841 4.361 . . . . 0.0 116.426 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -55.39 154.72 5.88 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.265 0.938 . . . . 0.0 109.983 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.11 124.62 7.93 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.661 0.384 . . . . 0.0 111.386 -174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.589 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 2.1 ptm180 -72.86 8.6 1.45 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -135.75 -16.31 1.76 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.389 0.541 . . . . 0.0 112.188 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -141.06 0.45 1.55 Allowed 'General case' 0 C--O 1.231 0.109 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? 35.84 36.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.136 1.775 . . . . 0.0 113.933 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.71 11.87 16.43 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' GLY . 44.5 m -131.05 29.53 4.68 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 122.818 0.447 . . . . 0.0 111.551 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.96 5.27 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.662 1.185 . . . . 0.0 111.567 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.65 -4.74 20.45 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.155 0.883 . . . . 0.0 113.741 -177.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' CD1' ' C6 ' ' B' ' 102' ' ' ' U' . 13.5 p90 -155.09 -176.38 5.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.201 1.001 . . . . 0.0 110.536 177.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.39 179.7 7.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.937 0.495 . . . . 0.0 110.718 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -146.22 73.45 1.33 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.626 0.771 . . . . 0.0 109.341 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -75.78 165.75 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 171.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -153.98 160.3 42.01 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.329 0.968 . . . . 0.0 112.077 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.459 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 31.1 m-85 -126.73 157.82 38.11 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.425 1.09 . . . . 0.0 110.014 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -132.91 12.85 4.34 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.316 0.646 . . . . 0.0 111.456 -173.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -131.38 124.6 30.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.0 -27.42 68.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -168.241 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -75.45 -39.03 59.31 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.283 0.947 . . . . 0.0 110.701 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -75.56 -27.1 58.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -40.27 62.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.427 0.291 . . . . 0.0 111.569 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -70.41 -31.27 68.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.944 -0.472 . . . . 0.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.41 -38.35 59.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.151 0.432 . . . . 0.0 110.749 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.9 72.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.113 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -88.91 -27.8 20.73 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.017 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.51 -8.95 55.19 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.623 0.192 . . . . 0.0 111.19 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.59 -7.62 3.66 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 mmt -115.91 -24.65 8.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.415 174.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.58 125.88 26.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.953 1.251 . . . . 0.0 110.169 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.53 90.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.355 -0.692 . . . . 0.0 112.368 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -179.82 1.76 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.151 0.975 . . . . 0.0 110.715 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.1 t -136.46 142.52 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 82' ' ' GLY . 52.6 tp -151.68 142.78 23.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 170.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.54 -3.99 0.07 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.338 1.455 . . . . 0.0 113.121 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.89 -2.06 31.8 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -98.26 -163.03 1.0 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.242 0.617 . . . . 0.0 109.75 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -107.03 167.47 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.0 mt -134.76 146.26 49.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 32.5 mmt180 -140.15 147.3 39.96 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.346 0.593 . . . . 0.0 111.15 -171.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.7 131.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.332 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.94 167.93 14.35 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.874 0.47 . . . . 0.0 110.085 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.25 144.75 56.42 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.956 -0.465 . . . . 0.0 110.748 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.91 177.82 4.06 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.775 0.43 . . . . 0.0 111.25 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -139.19 -9.86 1.29 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -134.26 163.52 29.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.937 0.495 . . . . 0.0 110.496 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.43 -43.92 8.26 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' HA ' ' C5 ' ' B' ' 104' ' ' ' C' . 3.8 ptp180 -172.67 161.17 3.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.867 1.667 . . . . 0.0 107.224 170.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 37.2 Cg_endo -58.0 139.1 89.21 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 125.302 4.001 . . . . 0.0 111.58 177.692 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -83.46 -17.17 6.5 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.652 2.901 . . . . 0.0 113.928 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -155.52 18.61 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.437 1.017 . . . . 0.0 113.369 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.1 m -71.36 -5.58 33.62 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.644 -0.66 . . . . 0.0 112.621 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -150.18 164.69 35.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.768 0.713 . . . . 0.0 111.406 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -149.19 169.87 19.75 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.695 0.798 . . . . 0.0 110.245 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.193 -1.384 . . . . 0.0 109.744 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.414 ' C6 ' ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.418 -2.893 1 O4'-C1'-N19 114.964 6.764 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.42 ' C5 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C3'-C2'-C1' 104.068 2.853 . 0.26 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.595 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C5'-C4'-C3' 109.194 -4.204 . 0.425 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.589 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 O4'-C1'-N19 114.389 6.189 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C3'-C2'-C1' 104.457 3.286 . 0.095 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 1 O4'-C1'-N19 114.25 6.05 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.368 0.128 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -140.28 12.06 2.37 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.315 0.646 . . . . 0.0 111.356 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -140.93 174.59 10.37 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 123.918 0.887 . . . . 0.0 110.283 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.91 167.35 38.59 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.11 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.53 151.08 62.73 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.772 0.829 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.37 155.75 12.07 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.875 3.717 . . . . 0.0 112.705 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.25 158.75 53.83 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.307 2.671 . . . . 0.0 110.072 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.58 21.7 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 124.751 3.634 . . . . 0.0 113.746 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -137.63 9.9 2.89 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.425 0.557 . . . . 0.0 112.491 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.86 -13.84 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 O-C-N 122.084 -0.385 . . . . 0.0 111.356 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -78.01 4.58 11.84 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.437 0.695 . . . . 0.0 111.548 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.38 25.12 2.63 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.77 -0.461 . . . . 0.0 112.048 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.6 mtm -140.43 172.73 12.32 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.554 0.677 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 15' ' ' SER . 34.9 m -65.86 169.35 6.7 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.589 0.756 . . . . 0.0 109.305 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' HG22 ' A' ' 14' ' ' THR . 37.0 t -153.17 125.24 7.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD21 ' CG2' ' A' ' 87' ' ' VAL . 8.8 tp -134.46 98.31 4.05 Favored 'General case' 0 N--CA 1.458 -0.074 0 O-C-N 123.083 0.239 . . . . 0.0 111.592 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.2 tttp -63.89 148.85 48.43 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.878 0.871 . . . . 0.0 111.266 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 78.0 t -133.63 133.6 57.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.85 -170.85 3.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.999 0.812 . . . . 0.0 111.971 -170.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' ND2' HH21 ' A' ' 83' ' ' ARG . 2.4 t30 58.13 87.71 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.294 1.437 . . . . 0.0 112.258 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.7 pp -139.75 173.12 11.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.128 -0.357 . . . . 0.0 111.728 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -77.37 170.08 17.18 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.339 0.59 . . . . 0.0 111.708 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -75.41 8.55 2.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.25 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.11 -19.83 10.7 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.158 0.435 . . . . 0.0 111.156 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -64.94 162.05 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.453 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 80.1 p -142.81 164.37 32.75 Favored Pre-proline 0 N--CA 1.455 -0.189 0 C-N-CA 122.902 0.481 . . . . 0.0 110.535 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 63.4 Cg_endo -71.03 -18.63 30.92 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.712 1.608 . . . . 0.0 110.93 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.18 -34.45 56.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.94 -0.475 . . . . 0.0 110.096 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.19 -51.4 53.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.416 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.8 mt -59.44 -29.75 68.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.566 -173.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.93 -46.15 89.12 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -85.44 -43.72 13.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 118.456 0.571 . . . . 0.0 112.488 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.0 m -64.23 -23.73 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.882 0.873 . . . . 0.0 111.581 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.7 m-85 -102.04 -17.15 16.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.293 0.497 . . . . 0.0 112.055 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.86 -20.6 63.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.083 0.856 . . . . 0.0 112.088 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.29 -18.81 61.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.797 -0.565 . . . . 0.0 112.12 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.89 -14.53 41.69 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.85 -175.51 23.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.721 -1.751 . . . . 0.0 108.721 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -63.85 118.98 9.15 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.5 -16.94 8.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.291 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.88 -51.49 2.36 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.454 1.502 . . . . 0.0 112.351 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.93 161.28 31.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.487 1.115 . . . . 0.0 108.545 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -147.47 120.58 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -144.3 165.01 29.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.8 mt -140.93 94.32 8.0 Favored Pre-proline 0 CA--C 1.529 0.164 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.27 15.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.528 1 C-N-CA 126.182 4.588 . . . . 0.0 115.598 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 29.6 ptt180 -43.84 -62.35 1.14 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.93 0.892 . . . . 0.0 112.863 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 22.0 t70 -162.6 177.26 9.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.381 1.073 . . . . 0.0 108.301 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 19.3 ptt85 -131.11 8.95 4.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.583 0.629 . . . . 0.0 112.111 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -130.53 -21.09 2.86 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.023 0.529 . . . . 0.0 111.307 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -131.98 -23.81 2.2 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.522 0.329 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 46.58 63.05 2.04 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.687 1.195 . . . . 0.0 112.673 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -127.34 -19.33 4.28 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -76.71 39.27 0.21 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.75 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -66.73 16.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.419 1.488 . . . . 0.0 114.209 -173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.29 1.14 20.78 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 118.614 0.643 . . . . 0.0 113.129 -177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -155.45 -174.21 4.88 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.512 1.156 . . . . 0.0 110.653 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.46 -179.27 7.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 111.723 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.501 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.6 OUTLIER -153.07 64.19 0.77 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.142 1.377 . . . . 0.0 109.39 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 18.0 t -70.35 150.91 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -145.33 103.91 3.88 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.742 1.155 . . . . 0.0 112.118 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.08 162.35 29.09 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -128.28 2.85 5.73 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.339 0.656 . . . . 0.0 112.005 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -123.19 130.55 52.91 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -65.33 -22.12 66.78 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -171.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -83.49 -47.07 11.75 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.789 0.804 . . . . 0.0 109.091 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.46 -29.62 69.15 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.55 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.02 -43.23 14.14 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.69 -35.06 78.11 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.656 0.662 . . . . 0.0 110.48 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -68.62 -41.19 79.86 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.77 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.16 73.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.713 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -87.97 -27.61 21.98 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.771 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.6 -11.61 60.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.133 0.173 . . . . 0.0 111.04 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.92 -6.77 4.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.412 ' HB2' HG11 ' A' ' 87' ' ' VAL . 5.5 mmt -119.48 -22.48 6.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.092 0.86 . . . . 0.0 113.046 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -66.44 127.06 30.83 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 120.298 1.408 . . . . 0.0 110.408 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.75 3.45 83.76 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.257 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -177.0 1.22 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 117.54 0.67 . . . . 0.0 110.946 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.86 151.37 25.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 109.344 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.1 tp -119.03 -56.19 2.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.982 0.513 . . . . 0.0 111.106 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -131.0 -0.85 4.14 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.76 -13.38 2.42 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 112.171 -0.371 . . . . 0.0 112.171 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.467 HH21 ' ND2' ' A' ' 20' ' ' ASN . 10.9 ptm85 -85.17 -152.11 0.15 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 123.743 0.817 . . . . 0.0 110.335 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -122.86 156.34 34.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.065 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.48 149.71 46.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 30.7 mmt180 -142.81 147.64 35.8 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.719 -172.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -164.62 129.69 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.235 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -165.21 168.66 16.85 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.87 0.468 . . . . 0.0 109.986 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.3 149.75 41.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.079 0.466 . . . . 0.0 110.746 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.96 177.93 5.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.954 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.52 -10.33 6.84 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -151.56 178.97 8.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.086 0.955 . . . . 0.0 109.572 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.62 -45.89 1.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -159.67 153.28 19.05 Favored Pre-proline 0 N--CA 1.451 -0.404 0 C-N-CA 126.092 1.757 . . . . 0.0 107.755 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.643 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 51.8 Cg_exo -51.67 154.1 9.91 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 125.195 3.93 . . . . 0.0 112.047 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -74.43 -23.12 15.44 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.077 2.518 . . . . 0.0 110.49 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -153.02 159.42 42.88 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.427 1.491 . . . . 0.0 107.61 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m -53.67 -45.72 70.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 117.994 0.361 . . . . 0.0 111.768 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -167.71 8.04 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.887 0.475 . . . . 0.0 110.925 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -68.59 -4.72 16.38 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.763 0.825 . . . . 0.0 112.891 -176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.618 179.372 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.521 -2.652 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 112.333 -2.111 . 0.016 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.643 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 N19-C1'-C2' 107.113 -3.929 . 0.07 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.505 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.63 2 O4'-C1'-N19 116.152 7.952 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 C3'-C2'-C1' 104.443 3.27 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 O4'-C1'-N19 114.942 6.742 . 0.126 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -148.64 11.85 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 122.667 0.387 . . . . 0.0 111.343 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 22.2 m-85 -138.79 25.34 2.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 123.08 0.552 . . . . 0.0 110.119 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.25 170.03 54.51 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-O 121.564 0.536 . . . . 0.0 112.026 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 142.83 19.92 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.601 0.76 . . . . 0.0 111.05 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HD3' ' C6 ' ' B' ' 106' ' ' ' G' . 74.0 Cg_endo -71.83 163.27 39.4 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 124.59 3.527 . . . . 0.0 110.427 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.55 160.09 47.43 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.17 2.58 . . . . 0.0 110.647 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.24 13.81 0.82 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.918 3.745 . . . . 0.0 113.085 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -141.02 13.92 2.25 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.073 0.397 . . . . 0.0 111.834 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.4 -22.54 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.874 0.47 . . . . 0.0 111.324 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -8.18 55.52 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.501 0.72 . . . . 0.0 112.397 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.09 23.51 9.23 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.218 0.913 . . . . 0.0 112.012 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.5 mtm -138.26 170.84 15.32 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-N 117.673 0.736 . . . . 0.0 110.678 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.4 m -60.24 156.89 14.49 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -152.56 140.12 19.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.169 0.588 . . . . 0.0 109.536 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -143.8 91.68 2.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 119.452 -0.308 . . . . 0.0 111.328 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 49.8 tttp -60.64 151.97 27.64 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.151 0.981 . . . . 0.0 111.313 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 62.6 t -136.97 133.01 47.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.83 1.252 . . . . 0.0 107.859 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.48 -176.5 6.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.814 0.846 . . . . 0.0 112.462 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 84.37 0.81 0.9 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.041 2.137 . . . . 0.0 113.995 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.932 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.47 172.09 0.53 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.303 1.041 . . . . 0.0 113.296 178.265 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -75.88 171.94 13.56 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 121.409 0.623 . . . . 0.0 112.272 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -78.19 -4.53 48.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.89 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.92 -22.25 18.72 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.124 0.42 . . . . 0.0 110.22 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -61.66 164.18 6.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.724 0.81 . . . . 0.0 110.989 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 62.3 p -144.28 168.63 11.96 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 124.046 0.939 . . . . 0.0 108.856 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 87.8 Cg_endo -73.66 -21.08 19.54 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 121.417 1.411 . . . . 0.0 111.079 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.21 -31.89 43.86 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 122.305 -0.247 . . . . 0.0 110.754 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -48.67 60.69 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.63 -30.43 71.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.683 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -61.21 -39.57 90.71 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -88.1 -38.5 15.34 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.308 0.643 . . . . 0.0 111.358 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.57 -39.02 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 C-N-CA 124.126 0.97 . . . . 0.0 111.158 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 44.2 m-85 -97.49 -13.53 21.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.53 -28.5 65.51 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.82 -18.52 61.46 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.774 -0.579 . . . . 0.0 112.241 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -86.29 -15.19 41.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.866 0.466 . . . . 0.0 111.127 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.74 -171.61 24.75 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 108.906 -1.677 . . . . 0.0 108.906 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -65.46 118.36 9.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.57 -18.8 10.05 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 -52.5 2.66 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 125.044 1.306 . . . . 0.0 112.209 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -161.49 162.71 30.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.954 0.902 . . . . 0.0 108.651 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -152.56 128.5 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -145.6 159.24 43.43 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.61 91.12 6.86 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -21.21 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.852 3.034 . . . . 0.0 114.082 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 29.5 -110.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 125.662 1.585 . . . . 0.0 109.729 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.97 122.49 7.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -62.77 -0.63 0.68 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.103 1.761 . . . . 0.0 113.496 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.09 -15.81 0.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.265 0.939 . . . . 0.0 113.366 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -133.65 -6.01 2.86 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.272 0.487 . . . . 0.0 111.884 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 30.1 59.85 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.472 1.909 . . . . 0.0 114.011 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -132.88 26.28 4.3 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 m -130.93 36.15 3.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.285 0.634 . . . . 0.0 111.444 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.39 -2.86 0.79 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 112.125 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.92 4.31 5.78 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.243 0.925 . . . . 0.0 114.442 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.422 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 18.0 p90 -157.8 176.72 12.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.154 1.477 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.05 -174.75 4.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.956 0.902 . . . . 0.0 110.431 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.14 64.46 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.834 1.254 . . . . 0.0 108.103 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.8 t -74.15 139.75 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 171.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -141.05 105.8 4.92 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.194 0.906 . . . . 0.0 111.828 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -74.47 163.84 27.29 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.43 10.12 4.79 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.255 0.622 . . . . 0.0 112.084 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.06 129.98 42.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.14 -32.85 74.34 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.32 -38.55 60.2 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.641 1.11 . . . . 0.0 110.186 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.15 -29.62 66.58 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.14 -43.18 19.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.68 -30.51 70.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.74 -0.6 . . . . 0.0 111.203 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.7 -37.92 59.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.495 0.589 . . . . 0.0 110.866 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.77 73.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.26 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -87.72 -28.66 21.62 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.885 0.766 . . . . 0.0 110.788 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.71 -9.88 56.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.285 -0.259 . . . . 0.0 111.327 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.23 -7.58 3.81 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.457 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -118.68 -26.22 6.18 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.793 175.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -66.28 117.91 9.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 120.22 1.373 . . . . 0.0 109.878 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.77 2.48 90.55 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.791 -0.449 . . . . 0.0 112.418 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -176.45 1.1 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.871 0.836 . . . . 0.0 111.119 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.86 115.0 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 C-N-CA 123.585 0.754 . . . . 0.0 109.437 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.8 pt? -92.38 -19.06 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -158.89 -16.36 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.25 -6.77 0.6 Allowed Glycine 0 CA--C 1.528 0.893 0 CA-C-N 118.394 0.543 . . . . 0.0 112.049 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -111.84 -156.89 0.6 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.418 0.687 . . . . 0.0 109.261 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.34 160.84 22.23 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.601 0.36 . . . . 0.0 110.464 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -120.28 161.19 21.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 26.4 mmt180 -139.31 136.48 34.9 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 75' ' ' MET . 59.0 t -151.24 119.24 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.62 166.7 26.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.06 146.87 52.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.291 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.16 177.56 7.15 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.408 0.283 . . . . 0.0 111.748 -175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -141.74 -176.6 4.82 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.452 0.701 . . . . 0.0 110.779 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 53.52 -166.0 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.955 0.902 . . . . 0.0 111.812 -175.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.36 16.3 3.86 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.192 -0.782 . . . . 0.0 111.408 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 119.61 145.32 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.282 0 C-N-CA 130.82 3.648 . . . . 0.0 108.639 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.551 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 43.6 Cg_endo -66.21 126.68 16.12 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.497 3.464 . . . . 0.0 110.715 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.44 -9.96 8.99 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.891 3.061 . . . . 0.0 113.608 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -147.55 18.79 1.18 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p -68.8 -19.47 64.29 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.152 -0.342 . . . . 0.0 111.449 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -151.77 171.55 17.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.597 0.237 . . . . 0.0 111.447 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -147.08 176.11 10.19 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 110.28 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.062 -179.772 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.422 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.414 -3.251 1 O4'-C1'-N19 113.138 4.938 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 C5'-C4'-C3' 111.933 -2.378 . 0.041 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.551 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 N19-C1'-C2' 107.542 -3.661 . 0.222 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.479 ' C8 ' H5'' ' B' ' 104' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.559 2 O4'-C1'-N19 115.307 7.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . 0.444 ' C6 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 C5'-C4'-C3' 111.957 -2.362 . 0.042 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 112.039 3.839 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 p -146.14 -3.2 0.67 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.92 0.488 . . . . 0.0 111.762 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -129.94 -175.88 3.75 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.574 0.749 . . . . 0.0 111.956 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.49 166.1 37.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -55.89 147.37 43.52 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.082 0.553 . . . . 0.0 111.611 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.82 164.23 36.17 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 124.367 3.378 . . . . 0.0 109.873 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.66 156.93 60.02 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.329 2.02 . . . . 0.0 110.317 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.68 13.94 2.45 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.219 3.28 . . . . 0.0 112.49 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -138.45 28.96 2.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.379 0.536 . . . . 0.0 111.608 -173.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.14 -26.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.212 -0.305 . . . . 0.0 111.053 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.6 0.19 13.44 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.348 0.659 . . . . 0.0 111.962 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.52 2.63 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.485 -0.62 . . . . 0.0 112.497 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -142.07 176.01 9.29 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 117.978 0.889 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 t -70.65 174.96 5.28 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.708 0.403 . . . . 0.0 110.411 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -149.17 49.82 0.97 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.207 1.003 . . . . 0.0 109.541 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.7 tm? -65.01 98.87 0.31 Allowed 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.028 0.931 . . . . 0.0 110.334 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 14.8 pttp -90.93 172.34 8.66 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 118.549 0.613 . . . . 0.0 112.423 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 74.3 t -148.12 138.83 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.676 1.19 . . . . 0.0 110.525 -172.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.7 174.87 13.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.03 0.932 . . . . 0.0 112.158 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 101.49 18.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.83 2.052 . . . . 0.0 114.397 169.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 177.21 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -96.3 168.35 10.63 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.084 0.553 . . . . 0.0 110.773 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -69.59 6.75 1.01 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.884 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -127.95 -8.16 5.48 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.62 0.768 . . . . 0.0 111.493 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.4 m -71.72 162.02 30.09 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -140.03 155.57 70.73 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.297 0.639 . . . . 0.0 109.396 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.24 -20.62 24.39 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.111 2.541 . . . . 0.0 112.167 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.53 -28.47 60.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -72.72 -50.65 23.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.23 -30.93 71.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -62.31 -44.39 96.62 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -80.72 -39.9 26.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 118.034 0.379 . . . . 0.0 110.714 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.74 -31.67 47.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 124.585 1.154 . . . . 0.0 111.187 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 26.7 m-85 -103.11 -11.43 18.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.994 0.361 . . . . 0.0 111.804 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -72.04 -24.03 61.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -67.82 -22.23 65.16 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -76.33 -9.15 58.42 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.033 0.533 . . . . 0.0 110.888 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.17 -82.71 0.16 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.76 126.04 2.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.667 1.187 . . . . 0.0 108.01 172.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.87 133.22 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -77.82 -23.63 66.47 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -167.41 169.28 12.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.787 0.835 . . . . 0.0 109.597 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.58 141.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -158.8 161.8 36.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.6 mt -141.58 90.73 8.71 Favored Pre-proline 0 N--CA 1.455 -0.213 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 83.9 Cg_endo -77.15 -14.63 16.61 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 123.118 2.545 . . . . 0.0 113.177 -172.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 25.79 -108.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 110.564 -175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -146.2 128.84 16.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 58.1 ttt-85 -75.83 17.92 0.29 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 0.0 112.197 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -138.84 -12.73 1.27 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 p -133.0 -17.98 2.37 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 122.63 0.372 . . . . 0.0 111.271 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 43.27 34.95 0.77 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.45 1.5 . . . . 0.0 113.512 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.25 8.67 4.71 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.7 m -93.57 29.2 2.06 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.204 0.602 . . . . 0.0 110.528 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.76 3.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.448 1.499 . . . . 0.0 112.012 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -57.94 -6.59 2.9 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.617 1.103 . . . . 0.0 114.167 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.45 ' CD1' ' C6 ' ' B' ' 102' ' ' ' U' . 3.4 p90 -151.77 179.71 8.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 118.547 1.174 . . . . 0.0 111.348 177.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.69 179.04 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.215 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.12 67.53 1.19 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.9 0.48 . . . . 0.0 111.235 -175.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 70.7 t -74.9 155.82 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 25.2 ttp-105 -149.48 160.81 43.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.212 0.46 . . . . 0.0 111.241 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 20.5 m-85 -132.53 162.85 30.21 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.135 0.974 . . . . 0.0 110.515 173.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -135.34 15.56 3.46 Favored 'General case' 0 CA--C 1.528 0.11 0 O-C-N 124.001 0.813 . . . . 0.0 112.002 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.87 131.24 38.92 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -62.1 -30.94 71.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.51 -39.39 64.85 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.061 0.846 . . . . 0.0 110.558 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -77.71 -29.55 51.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.63 -46.7 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.804 0.441 . . . . 0.0 111.389 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.7 -32.55 72.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.22 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.41 -38.09 63.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 118.419 0.554 . . . . 0.0 110.641 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.07 72.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.152 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -90.62 -27.89 18.78 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 118.84 0.745 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -68.87 -10.21 55.75 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.356 -0.215 . . . . 0.0 111.189 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.45 -8.57 3.7 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -120.55 -18.33 7.84 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.77 52.56 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.072 1.305 . . . . 0.0 111.705 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.3 3.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.128 0.87 . . . . 0.0 112.672 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.82 -175.24 2.89 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.328 1.064 . . . . 0.0 111.146 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.94 120.6 26.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.65 -55.88 7.74 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.5 -1.16 0.4 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.61 -7.98 0.08 OUTLIER Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -121.47 -174.22 2.81 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.439 1.12 . . . . 0.0 109.584 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.98 171.63 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.819 0.448 . . . . 0.0 111.156 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.86 162.83 21.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -141.99 133.51 26.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 75' ' ' MET . 61.3 t -150.9 126.11 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.06 164.94 20.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.541 0.21 . . . . 0.0 110.957 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.9 mmt -65.82 148.65 51.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.333 0.253 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.39 -177.24 5.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.752 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.74 -9.42 1.39 Allowed 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 123.52 0.728 . . . . 0.0 112.16 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.71 174.87 10.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.031 0.532 . . . . 0.0 110.453 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.38 -27.93 5.95 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 172.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -154.27 154.67 30.0 Favored Pre-proline 0 N--CA 1.447 -0.589 0 C-N-CA 125.938 1.695 . . . . 0.0 107.501 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.555 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 19.5 Cg_endo -56.18 145.49 76.23 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 125.109 3.873 . . . . 0.0 110.462 172.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.63 -20.78 9.09 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.47 2.78 . . . . 0.0 114.256 -172.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.37 17.41 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.287 0.949 . . . . 0.0 113.336 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -69.23 -14.02 62.73 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.805 -0.559 . . . . 0.0 112.026 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -150.31 152.38 34.39 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.128 0.422 . . . . 0.0 110.284 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -164.58 170.59 15.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.705 0.802 . . . . 0.0 109.993 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.193 -178.752 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.45 ' C6 ' ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 113.297 5.097 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.4 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C3'-C2'-C1' 103.38 2.089 . 0.136 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.555 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 N19-C1'-C2' 107.692 -3.568 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.438 ' C8 ' H5'' ' B' ' 104' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.72 2 O4'-C1'-N19 116.122 7.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C5'-C4'-C3' 111.58 -2.613 . 0.112 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 O4'-C1'-N19 113.102 4.902 . 0.128 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -155.08 171.37 19.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.653 0.781 . . . . 0.0 109.811 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.79 173.96 11.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.059 0.543 . . . . 0.0 110.758 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.42 176.39 39.58 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 10.9 ptm85 -52.78 149.64 11.07 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.221 1.008 . . . . 0.0 112.069 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 77.3 Cg_exo -51.1 159.66 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.654 3.569 . . . . 0.0 111.875 170.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.57 150.85 15.35 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.309 2.673 . . . . 0.0 112.199 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -79.08 8.73 3.66 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.444 3.429 . . . . 0.0 113.089 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -140.64 19.56 2.35 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.634 0.652 . . . . 0.0 111.844 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.8 -11.77 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 121.942 -0.474 . . . . 0.0 111.892 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.43 4.09 41.03 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.327 0.651 . . . . 0.0 111.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.08 15.67 3.25 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.236 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.8 mtm -142.56 168.46 19.67 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.903 0.852 . . . . 0.0 109.442 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.1 t -68.88 177.74 2.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.661 0.267 . . . . 0.0 110.483 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -151.8 151.08 30.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.731 0.776 . . . . 0.0 110.893 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 15.5 tp -143.63 152.5 41.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 14.8 pttp -130.27 165.8 21.69 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.394 0.997 . . . . 0.0 111.787 170.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 72.7 t -139.68 133.48 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.497 1.119 . . . . 0.0 109.073 -176.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -151.95 -173.12 4.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.483 1.113 . . . . 0.0 111.449 -174.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 54.71 92.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.412 1.485 . . . . 0.0 112.027 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.46 175.53 8.15 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.924 0.49 . . . . 0.0 111.563 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -84.02 169.35 15.05 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 111.644 -176.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -70.82 7.29 1.18 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.054 0.541 . . . . 0.0 111.691 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 mmm-85 -128.1 -8.71 5.38 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.729 0.812 . . . . 0.0 111.751 -177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -70.98 160.95 31.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 68.4 m -145.3 161.82 39.95 Favored Pre-proline 0 CA--C 1.53 0.181 0 C-N-CA 123.373 0.669 . . . . 0.0 109.628 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 73.2 Cg_endo -71.57 -23.12 23.6 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.073 1.848 . . . . 0.0 112.278 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.71 -33.9 60.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.319 0.509 . . . . 0.0 110.852 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.15 -49.88 63.21 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 176.039 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 33' ' ' VAL . 24.9 mt -59.8 -28.52 67.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.082 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.89 -45.9 84.0 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.547 0.612 . . . . 0.0 110.205 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -80.53 -44.69 18.67 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.7 m -67.19 -23.11 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 111.665 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.76 -16.37 19.9 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.368 0.531 . . . . 0.0 112.406 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.0 -31.3 68.67 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 0.647 . . . . 0.0 111.053 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.87 -22.17 65.99 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.968 0.507 . . . . 0.0 112.244 -175.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -76.22 -12.31 60.07 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 122.687 0.395 . . . . 0.0 110.673 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.27 -73.29 0.25 Allowed Glycine 0 C--N 1.337 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -165.3 113.18 0.99 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.94 131.59 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.55 -23.77 61.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -168.11 171.74 9.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.789 0.435 . . . . 0.0 110.752 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -154.89 131.45 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.088 0.955 . . . . 0.0 108.785 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -152.54 161.16 42.96 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.47 96.74 4.78 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 -7.7 2.41 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 125.276 3.984 . . . . 0.0 117.755 -172.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 52' ' ' LYS . 13.3 mmt-85 31.02 -117.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.113 0.965 . . . . 0.0 111.139 -173.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.71 5.26 1.56 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.854 0.862 . . . . 0.0 111.697 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.609 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 3.8 ptm180 43.38 7.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.577 2.751 . . . . 0.0 115.846 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.93 -21.08 0.57 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.799 0.727 . . . . 0.0 112.655 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 p -128.86 -11.86 4.81 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.029 0.377 . . . . 0.0 111.374 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 47' ' ' ARG . 36.6 mtmm 43.82 44.13 5.51 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.821 1.248 . . . . 0.0 114.09 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.17 7.69 2.66 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -61.88 -41.39 97.82 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.054 0.843 . . . . 0.0 110.507 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 14.04 66.93 0.01 OUTLIER 'General case' 0 C--N 1.34 0.172 0 C-N-CA 127.723 2.409 . . . . 0.0 114.109 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.1 -3.4 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.256 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.23 178.88 9.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.16 0.98 . . . . 0.0 109.915 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.52 -179.86 7.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.964 0.505 . . . . 0.0 110.117 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -148.5 76.83 1.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.724 0.81 . . . . 0.0 109.99 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 25.7 t -80.85 158.28 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -142.48 160.57 40.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.974 0.807 . . . . 0.0 111.092 178.642 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -127.51 166.72 17.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.041 0.936 . . . . 0.0 108.815 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -139.41 12.37 2.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -133.65 135.71 44.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -62.73 -36.81 84.2 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -68.97 -40.96 78.54 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.898 0.772 . . . . 0.0 110.726 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.75 -29.86 56.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.03 -33.16 70.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.97 -0.456 . . . . 0.0 110.63 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -73.44 -38.1 65.63 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.561 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.68 -35.95 73.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.459 -0.305 . . . . 0.0 111.218 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.47 -29.04 20.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.361 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.23 -8.97 50.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.829 0.286 . . . . 0.0 111.187 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.59 -7.34 3.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.409 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.5 mmt -118.9 -26.51 6.01 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.677 0.671 . . . . 0.0 112.342 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.42 126.17 28.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 119.864 1.211 . . . . 0.0 110.437 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.26 0.99 85.11 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.513 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.02 -177.06 1.54 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.629 0.714 . . . . 0.0 110.903 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.53 142.03 41.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.081 0 C-N-CA 123.742 0.817 . . . . 0.0 109.415 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.43 -53.15 2.67 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 122.474 0.309 . . . . 0.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -137.82 -3.81 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.91 -7.38 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.774 -0.459 . . . . 0.0 112.798 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -109.94 -165.32 1.0 Allowed 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.562 0.681 . . . . 0.0 109.674 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -104.3 162.25 13.37 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.776 0.431 . . . . 0.0 110.129 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.49 151.3 49.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 21.6 mmt180 -139.87 137.61 35.03 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.042 0.448 . . . . 0.0 111.132 -172.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 18' ' ' VAL . 57.6 t -152.12 124.85 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.531 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -164.44 165.93 21.0 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.492 0.317 . . . . 0.0 110.269 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.9 144.24 55.25 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.783 0.433 . . . . 0.0 111.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.94 178.34 4.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.872 0.469 . . . . 0.0 111.431 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -137.8 -15.48 1.36 Allowed 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.74 173.23 11.91 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.99 0.516 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.16 -33.95 4.11 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 172.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -154.97 145.63 16.19 Favored Pre-proline 0 N--CA 1.446 -0.654 0 C-N-CA 125.635 1.574 . . . . 0.0 107.626 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.57 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 38.4 Cg_endo -63.18 120.63 8.16 Favored 'Trans proline' 0 N--CA 1.45 -1.07 1 C-N-CA 125.486 4.124 . . . . 0.0 110.319 175.346 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.45 -0.85 10.94 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 124.118 3.212 . . . . 0.0 112.845 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.97 32.72 2.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.0 m -128.12 -18.95 4.03 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -162.63 146.5 11.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -149.44 1.98 0.54 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.137 -1.411 . . . . 0.0 110.963 -175.251 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 C5'-C4'-C3' 111.644 -2.571 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.614 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C5'-C4'-C3' 111.906 -2.396 . 0.085 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.57 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 N19-C1'-C2' 107.485 -3.697 . 0.175 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.609 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.652 2 O4'-C1'-N19 115.949 7.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.932 -2.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 1 O4'-C1'-N19 115.035 6.835 . 0.345 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 m -144.2 11.38 1.54 Allowed 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 122.598 0.359 . . . . 0.0 111.702 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -140.62 177.8 7.77 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.276 0.631 . . . . 0.0 110.179 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 174.21 41.73 Favored Glycine 0 C--N 1.336 0.555 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 5' ' ' ARG . 11.3 ptm85 -60.03 154.18 51.5 Favored Pre-proline 0 N--CA 1.449 -0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.155 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.85 160.75 47.01 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.839 3.693 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.68 160.4 48.26 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.058 2.505 . . . . 0.0 110.127 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.62 18.81 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 124.304 3.336 . . . . 0.0 112.054 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 11' ' ' GLU . 31.4 t0 -138.63 23.96 2.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.358 0.526 . . . . 0.0 111.814 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.9 9.56 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 123.106 0.563 . . . . 0.0 112.159 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 9' ' ' ASP . 35.8 mt-10 -126.63 11.71 7.34 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.315 0.646 . . . . 0.0 110.072 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.87 17.81 2.99 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.734 0.683 . . . . 0.0 111.739 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.6 mtm -141.73 169.71 17.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.492 0.717 . . . . 0.0 110.465 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 m -63.99 159.64 19.6 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -150.02 125.77 10.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -131.18 93.95 3.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.717 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 46.6 tttp -64.53 147.16 53.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.407 1.083 . . . . 0.0 110.869 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.4 t -134.67 137.76 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.819 1.247 . . . . 0.0 108.027 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.63 -174.69 4.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.966 0.906 . . . . 0.0 112.395 -172.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 70.94 93.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.66 1.584 . . . . 0.0 111.452 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' CD2' ' HB ' ' A' ' 25' ' ' THR . 5.3 mt -117.51 169.7 9.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.555 1.542 . . . . 0.0 112.534 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.651 HG23 ' HD3' ' A' ' 83' ' ' ARG . 44.6 p -109.66 166.2 11.09 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.419 0.628 . . . . 0.0 110.196 165.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -71.22 4.7 2.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.08 172.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -121.67 -1.77 9.46 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 110.564 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 24.6 m -109.58 166.66 10.73 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 172.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 73.3 m -150.7 164.05 21.76 Favored Pre-proline 0 N--CA 1.457 -0.104 0 O-C-N 122.151 -0.343 . . . . 0.0 110.595 -170.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 54.2 Cg_endo -67.5 -16.72 47.95 Favored 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 122.477 2.118 . . . . 0.0 111.784 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.55 -34.11 60.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -49.04 66.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.23 -32.17 73.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.837 -178.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 -61.22 -40.06 92.6 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -88.75 -37.58 15.36 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.58 0.752 . . . . 0.0 111.286 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.08 -36.36 71.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 124.416 1.087 . . . . 0.0 110.937 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.8 m-85 -101.22 -11.91 19.14 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.7 -32.35 70.43 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.274 -0.266 . . . . 0.0 111.707 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.11 -19.65 64.05 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -80.0 -11.93 59.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.813 0.445 . . . . 0.0 110.92 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.52 -85.39 0.14 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -152.52 121.85 6.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -57.3 -18.3 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.28 2.33 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.0 1.286 . . . . 0.0 111.96 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -155.64 163.58 39.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.868 0.867 . . . . 0.0 108.703 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.2 p -148.77 121.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -146.16 169.1 19.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.065 0.46 . . . . 0.0 111.62 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -141.58 97.48 6.66 Favored Pre-proline 0 N--CA 1.457 -0.116 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -54.06 16.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 1 C-N-CA 126.848 5.032 . . . . 0.0 117.037 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -58.35 160.15 5.49 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.841 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.6 129.25 40.15 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.025 0.441 . . . . 0.0 111.506 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 65.1 ttt-85 -67.03 1.89 1.75 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.975 1.31 . . . . 0.0 112.955 -175.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.81 -9.26 1.2 Allowed 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -134.72 -15.38 2.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.72 0.408 . . . . 0.0 111.542 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 35.59 42.76 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.97 2.108 . . . . 0.0 114.515 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.58 28.72 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.1 0.56 . . . . 0.0 111.64 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -128.83 35.67 4.31 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 123.419 0.688 . . . . 0.0 110.572 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -64.39 3.91 0.42 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.783 0.833 . . . . 0.0 112.546 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.3 11.8 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.041 0.829 . . . . 0.0 113.367 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -152.69 177.97 10.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.036 0.918 . . . . 0.0 110.767 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.37 5.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.932 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.7 OUTLIER -149.08 59.91 1.04 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.558 1.143 . . . . 0.0 109.023 178.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 10.0 t -69.91 145.2 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 170.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 ttp-105 -144.91 105.03 4.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.967 1.258 . . . . 0.0 112.779 -172.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -73.36 161.95 29.88 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -128.01 6.52 6.0 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.218 0.607 . . . . 0.0 111.91 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -129.98 126.73 38.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.0 -30.3 71.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -171.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.74 -43.71 68.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.266 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.53 -27.72 58.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.26 -39.26 59.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.489 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -75.47 -39.62 58.43 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.606 0.639 . . . . 0.0 111.032 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 119.313 -0.375 . . . . 0.0 111.475 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.406 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 19.8 ptt? -88.88 -27.02 21.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.97 0.805 . . . . 0.0 110.861 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.59 -6.66 48.03 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 122.144 0.177 . . . . 0.0 110.853 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.38 -5.93 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.31 -14.78 7.37 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.07 61.84 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.334 1.425 . . . . 0.0 112.217 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.52 -2.05 0.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.027 0.823 . . . . 0.0 111.94 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.02 -174.71 2.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.626 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.9 t -132.24 142.79 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 C-N-CA 123.803 0.841 . . . . 0.0 110.595 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.9 tp -148.55 138.29 22.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 172.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.0 t70 56.05 3.62 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.781 1.232 . . . . 0.0 113.162 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.92 7.38 44.4 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.651 ' HD3' HG23 ' A' ' 22' ' ' THR . 5.6 ptt-85 -107.67 -157.93 0.63 Allowed 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.137 0.975 . . . . 0.0 109.393 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -113.97 170.34 8.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -132.59 150.64 52.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -140.48 144.06 35.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.3 p -163.93 134.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -163.58 171.53 15.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.1 mmt -63.62 162.9 12.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.533 0.206 . . . . 0.0 110.624 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HA ' ' H42' ' B' ' 103' ' ' ' C' . . . -115.04 179.68 3.88 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 111.596 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -138.58 179.01 6.72 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 124.14 0.976 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 50.11 -153.18 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.893 0.477 . . . . 0.0 110.697 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.19 -46.59 0.05 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -158.34 150.35 17.35 Favored Pre-proline 0 N--CA 1.451 -0.391 0 C-N-CA 125.56 1.544 . . . . 0.0 107.529 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.615 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 52.3 Cg_exo -47.89 137.75 21.71 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 125.007 3.805 . . . . 0.0 111.821 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.78 -31.25 5.39 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.897 2.398 . . . . 0.0 111.196 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -169.68 111.76 0.47 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.705 0.802 . . . . 0.0 109.494 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 m -150.33 2.86 0.49 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -148.78 166.11 29.43 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.181 0.446 . . . . 0.0 110.785 -175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -147.27 170.36 17.44 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.427 0.691 . . . . 0.0 110.443 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.024 179.383 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.82 4.62 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.409 ' H42' ' HA ' ' A' ' 90' ' ' ALA . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C5'-C4'-C3' 110.086 -3.609 . 0.411 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.615 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 N19-C1'-C2' 107.456 -3.715 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.492 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.667 2 O4'-C1'-N19 115.517 7.317 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C3'-C2'-C1' 104.174 2.971 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 114.613 6.413 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.404 0.145 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -148.16 -25.63 0.34 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.687 0.395 . . . . 0.0 110.604 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -146.32 172.27 13.75 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.11 0.964 . . . . 0.0 109.057 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 173.35 44.12 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -52.39 151.56 7.28 Favored Pre-proline 0 N--CA 1.447 -0.577 0 C-N-CA 123.818 0.847 . . . . 0.0 111.838 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 73.7 Cg_endo -72.2 157.29 54.14 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.066 3.177 . . . . 0.0 110.14 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.21 162.01 41.6 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.664 2.909 . . . . 0.0 110.194 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -83.2 24.91 0.71 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 124.292 3.328 . . . . 0.0 112.882 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -137.36 14.16 3.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.55 -9.97 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.538 0.735 . . . . 0.0 111.164 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.24 12.54 16.51 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.019 0.528 . . . . 0.0 110.823 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.31 9.7 6.21 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtm -145.01 175.47 10.21 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.707 0.803 . . . . 0.0 110.219 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.4 m -58.53 160.16 5.72 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.833 0.853 . . . . 0.0 110.129 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -149.95 132.03 15.33 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 6.4 tp -137.78 95.01 2.97 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.744 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HE3' ' C6 ' ' B' ' 103' ' ' ' C' . 13.3 ptmm? -69.94 160.37 32.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.923 0.392 . . . . 0.0 111.078 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 60' ' ' VAL . 54.2 t -141.99 132.8 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.567 0.747 . . . . 0.0 109.785 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -155.99 -178.49 7.34 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.0 t30 90.2 -0.08 0.24 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.668 2.387 . . . . 0.0 114.156 170.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.887 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.81 171.78 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.705 0.684 . . . . 0.0 112.302 176.454 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 p -72.88 167.1 21.68 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.473 0.654 . . . . 0.0 112.575 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -74.16 10.13 1.35 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.288 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -124.6 -12.99 7.13 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.717 0.807 . . . . 0.0 111.552 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -68.05 165.24 18.41 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.6 m -136.84 156.59 75.89 Favored Pre-proline 0 C--O 1.233 0.193 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.45 -18.07 43.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.946 2.431 . . . . 0.0 112.056 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 -31.73 48.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 -50.28 55.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.13 -32.42 73.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.27 -45.97 89.77 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -82.54 -39.15 22.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.654 0.264 . . . . 0.0 110.756 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.58 -32.02 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 111.292 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -107.27 -10.08 15.91 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 118.164 0.438 . . . . 0.0 112.149 -175.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.24 -25.07 65.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.496 0.189 . . . . 0.0 110.851 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.38 -21.6 59.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.99 -14.36 59.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.178 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.97 -61.57 0.47 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.388 -0.674 . . . . 0.0 113.75 171.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.17 90.42 1.27 Allowed 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.054 0.927 . . . . 0.0 113.198 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.01 62.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.454 1.102 . . . . 0.0 108.556 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.23 -20.36 9.66 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.976 1.274 . . . . 0.0 113.344 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -153.12 156.67 39.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.954 0.877 . . . . 0.0 109.447 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.37 124.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 C-N-CA 124.052 0.941 . . . . 0.0 108.711 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -151.52 167.8 26.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.5 -176.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.3 mt -142.86 91.34 7.3 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 124.251 1.02 . . . . 0.0 108.252 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.35 17.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.471 4.114 . . . . 0.0 115.003 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 37.2 ptt180 -41.72 -63.11 0.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.886 0.766 . . . . 0.0 112.11 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.496 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 7.1 t70 -163.73 -175.71 4.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 18.2 ttp180 -139.06 7.28 2.43 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.987 0.422 . . . . 0.0 110.845 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -137.12 -11.76 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.56 0.744 . . . . 0.0 111.259 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.1 p -130.32 -14.05 3.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.19 0.596 . . . . 0.0 110.776 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt 27.69 53.77 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.366 2.266 . . . . 0.0 114.259 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.47 -5.62 1.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.7 m -79.52 39.42 0.4 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.549 0.613 . . . . 0.0 111.177 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.57 14.81 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.659 1.584 . . . . 0.0 114.426 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.01 0.99 9.05 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.397 -0.668 . . . . 0.0 113.386 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -158.93 178.58 9.93 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.33 1.065 . . . . 0.0 110.76 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.96 -173.61 4.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.774 0.83 . . . . 0.0 109.758 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.57 91.79 1.69 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.104 0.562 . . . . 0.0 109.764 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 18' ' ' VAL . 15.0 m -97.09 160.66 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.6 ttp-105 -140.35 146.98 39.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 111.358 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -116.09 161.42 18.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.335 171.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -136.37 17.76 3.16 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.73 134.13 40.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.67 -36.91 82.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -69.98 -41.0 75.01 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.589 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.16 -25.76 39.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.29 55.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.489 -0.132 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.32 -33.16 69.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.348 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.65 -38.36 70.71 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.734 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.212 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.54 -28.09 20.98 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.588 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.54 -9.42 49.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.921 -0.487 . . . . 0.0 111.19 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 -5.78 3.06 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -124.66 -20.62 5.03 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.52 61.4 1.29 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.874 1.215 . . . . 0.0 111.542 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -5.46 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.884 0.754 . . . . 0.0 111.863 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -178.99 1.45 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.565 0.746 . . . . 0.0 111.524 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -136.38 127.47 42.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.544 0.738 . . . . 0.0 109.264 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.49 -54.25 6.65 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -148.75 -15.64 0.32 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.9 22.64 0.02 OUTLIER Glycine 0 CA--C 1.528 0.853 0 CA-C-N 118.654 0.661 . . . . 0.0 113.863 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -135.19 -149.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.412 1.085 . . . . 0.0 108.889 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.8 165.68 14.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.892 0.477 . . . . 0.0 110.076 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.65 158.32 38.86 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -138.67 138.43 37.78 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 122.689 0.396 . . . . 0.0 110.636 -173.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' MET . 66.1 t -152.34 118.1 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.271 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -158.79 168.33 27.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.752 0.31 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.3 mmt -66.46 148.68 51.53 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 110.526 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.39 179.58 5.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.72 0.295 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -138.67 -7.49 1.46 Allowed 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.112 0.565 . . . . 0.0 112.488 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.33 178.2 6.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.49 0.716 . . . . 0.0 110.521 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.69 19.91 6.54 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 122.43 147.53 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.201 0 C-N-CA 131.299 3.839 . . . . 0.0 108.912 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.521 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 36.5 Cg_endo -59.94 143.31 99.6 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 125.171 3.914 . . . . 0.0 110.854 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.83 -11.98 21.86 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.033 3.155 . . . . 0.0 112.211 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.12 160.57 42.91 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.3 m -58.16 -34.78 70.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -163.49 171.42 15.91 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 122.075 -0.391 . . . . 0.0 110.521 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -143.39 8.63 1.59 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.658 0.383 . . . . 0.0 111.5 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.749 -179.071 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.588 0 C5'-C4'-C3' 111.397 -2.735 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.459 ' C6 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C3'-C2'-C1' 104.721 3.579 . 0.085 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.521 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 N19-C1'-C2' 107.126 -3.921 . 0.307 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.422 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.429 2 O4'-C1'-N19 115.806 7.606 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . 0.422 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C5'-C4'-C3' 111.278 -2.815 OUTLIER-EPSILON 0.021 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 1 O4'-C1'-N19 112.376 4.176 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -158.12 -12.07 0.08 Allowed 'General case' 0 N--CA 1.461 0.084 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 54.32 -170.22 0.06 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.062 0.945 . . . . 0.0 112.484 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.59 169.62 38.67 Favored Glycine 0 C--N 1.334 0.466 0 CA-C-O 121.352 0.418 . . . . 0.0 112.719 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' HD2' ' C6 ' ' B' ' 107' ' ' ' U' . 0.0 OUTLIER -60.01 159.4 20.92 Favored Pre-proline 0 N--CA 1.448 -0.548 0 C-N-CA 124.389 1.075 . . . . 0.0 112.647 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HD3' ' C6 ' ' B' ' 106' ' ' ' G' . 60.5 Cg_endo -68.86 165.81 28.56 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.995 3.797 . . . . 0.0 110.611 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -66.38 154.98 72.21 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.982 2.455 . . . . 0.0 110.883 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -79.06 18.2 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 124.901 3.734 . . . . 0.0 113.023 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -136.81 16.2 3.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.263 0.483 . . . . 0.0 111.969 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.8 -16.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 O-C-N 121.995 -0.44 . . . . 0.0 111.485 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.51 -7.93 54.65 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.455 0.702 . . . . 0.0 111.929 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.69 20.93 4.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 123.42 0.533 . . . . 0.0 112.601 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.3 mtm -141.46 164.52 30.0 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 117.739 0.769 . . . . 0.0 110.527 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -77.58 177.27 8.2 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.843 0.457 . . . . 0.0 110.24 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -147.36 135.61 21.57 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.501 0.721 . . . . 0.0 110.049 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.6 tm? -133.52 93.39 3.13 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 122.706 0.402 . . . . 0.0 110.394 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -69.02 154.83 41.39 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.068 1.347 . . . . 0.0 111.903 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.6 t -138.35 135.62 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 125.259 1.424 . . . . 0.0 108.067 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.86 177.91 10.96 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 85.38 12.41 0.23 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.029 2.131 . . . . 0.0 114.523 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -59.63 174.62 0.43 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.126 0.876 . . . . 0.0 112.515 178.348 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.7 p -78.83 169.67 17.86 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 121.51 0.671 . . . . 0.0 111.973 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -77.23 11.17 2.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.083 175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -126.79 -16.43 5.2 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.684 0.794 . . . . 0.0 111.891 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 84.9 m -74.54 167.08 22.44 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -140.85 162.02 50.85 Favored Pre-proline 0 CA--C 1.528 0.132 0 O-C-N 122.118 -0.364 . . . . 0.0 110.361 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.55 -17.08 43.41 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.159 1.906 . . . . 0.0 111.116 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.68 -43.24 72.89 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -66.34 -51.74 54.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.587 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.567 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.9 mt -58.21 -26.6 63.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.961 -172.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -68.88 -42.11 77.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.222 0.464 . . . . 0.0 110.572 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -86.79 -41.91 13.72 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.8 m -67.12 -24.73 32.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 111.473 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.0 m-85 -96.8 -16.8 20.62 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 118.26 0.482 . . . . 0.0 112.293 174.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.18 -30.51 37.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.129 0.422 . . . . 0.0 111.841 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.97 -21.59 61.56 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -84.45 -16.13 43.63 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 122.449 0.3 . . . . 0.0 110.773 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.7 -160.1 27.36 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -61.42 90.36 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.3 p -72.01 53.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 168.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.84 -8.23 5.51 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.166 1.365 . . . . 0.0 113.342 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.53 145.79 27.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 117.458 0.629 . . . . 0.0 109.556 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -153.77 107.41 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -137.24 165.67 25.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.8 mt -140.42 96.97 7.66 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.48 20.83 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.526 1 C-N-CA 126.818 5.012 . . . . 0.0 116.841 178.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -48.05 145.46 3.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.804 0.729 . . . . 0.0 110.403 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.06 125.17 17.9 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 62.5 ttt-85 -62.84 5.22 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.58 1.552 . . . . 0.0 113.68 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -143.96 -8.32 0.71 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -139.15 -22.48 0.92 Allowed 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.087 0.403 . . . . 0.0 111.662 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 46.28 24.57 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.934 1.694 . . . . 0.0 114.317 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.45 22.51 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.246 1.018 . . . . 0.0 113.067 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -133.67 38.08 3.26 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -170.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -59.67 -6.64 1.22 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.398 1.079 . . . . 0.0 112.756 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.8 4.93 4.95 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 119.198 -0.779 . . . . 0.0 114.626 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -159.13 176.4 12.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.254 1.527 . . . . 0.0 111.626 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.27 -173.33 4.47 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.924 0.89 . . . . 0.0 110.82 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.5 OUTLIER -148.9 60.54 1.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.32 1.448 . . . . 0.0 108.834 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 34.8 t -71.42 147.51 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 171.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 17.4 ttp-105 -141.17 143.85 34.46 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 112.305 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.08 161.61 15.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.241 171.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -126.29 15.53 7.77 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.194 0.598 . . . . 0.0 112.366 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -140.01 141.98 36.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.245 0.475 . . . . 0.0 110.223 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -60.25 -37.78 81.47 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.9 -37.5 64.64 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 119.046 0.839 . . . . 0.0 110.601 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -76.55 -31.51 57.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.2 67.28 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 122.853 0.461 . . . . 0.0 111.531 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -31.98 66.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 122.049 -0.407 . . . . 0.0 111.726 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -74.72 -38.28 62.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.66 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.83 72.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.804 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.59 -29.68 19.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 118.724 0.693 . . . . 0.0 110.494 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.79 -9.7 46.45 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.187 -0.32 . . . . 0.0 111.324 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.42 -6.32 3.33 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.442 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.6 mmt -120.78 -23.06 6.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.729 0.695 . . . . 0.0 112.625 174.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.8 125.63 26.88 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.739 1.154 . . . . 0.0 109.655 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.45 1.68 88.84 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.316 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 -174.54 0.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.7 0.75 . . . . 0.0 111.49 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -135.67 148.32 28.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.31 -53.32 2.67 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.096 0.559 . . . . 0.0 109.797 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -140.97 -3.65 1.23 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.44 -13.5 0.6 Allowed Glycine 0 C--N 1.341 0.836 0 O-C-N 122.089 -0.382 . . . . 0.0 112.681 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -91.74 -155.68 0.42 Allowed 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 117.662 0.731 . . . . 0.0 109.773 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 167.98 10.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.392 0.677 . . . . 0.0 109.68 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.89 156.17 49.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -141.57 144.83 34.46 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 16' ' ' LEU . 58.2 t -153.44 125.09 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.281 1.032 . . . . 0.0 108.249 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -165.06 165.05 20.29 Favored 'General case' 0 C--O 1.227 -0.095 0 CA-C-N 117.817 0.28 . . . . 0.0 110.632 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.87 153.86 31.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.609 0.364 . . . . 0.0 110.974 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.4 174.18 5.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -127.46 -12.93 5.54 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.33 0.652 . . . . 0.0 112.646 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -149.56 165.27 32.73 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.12 0.418 . . . . 0.0 110.294 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.24 -37.94 54.41 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.546 ' HB2' ' HD2' ' A' ' 95' ' ' PRO . 4.3 ppt_? 159.0 167.73 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 129.807 3.243 . . . . 0.0 109.393 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.655 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 35.6 Cg_exo -54.69 145.26 60.85 Favored 'Trans proline' 0 N--CA 1.456 -0.685 1 C-N-CA 125.69 4.26 . . . . 0.0 112.365 -172.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.7 -44.16 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.97 2.447 . . . . 0.0 113.107 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -155.41 25.48 0.41 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.081 0.553 . . . . 0.0 111.913 -172.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.5 m -65.63 2.21 1.03 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -145.04 165.39 28.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.814 0.734 . . . . 0.0 111.314 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -149.22 160.78 43.08 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.55 0.74 . . . . 0.0 109.744 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.082 -1.437 . . . . 0.0 110.24 -179.526 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-C3' 111.464 -2.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C5'-C4'-C3' 112.539 -1.974 . 0.069 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.655 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.076 1 N19-C1'-C2' 106.147 -4.533 . 0.024 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.418 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.483 2 O4'-C1'-N19 115.906 7.706 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . 0.45 ' C6 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 C3'-C2'-C1' 103.805 2.562 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . 0.423 ' C6 ' ' HD2' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 113.625 5.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -148.32 171.8 15.41 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.824 0.45 . . . . 0.0 110.519 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 47.16 33.5 2.5 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.514 1.126 . . . . 0.0 112.176 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 169.51 28.67 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -54.49 148.95 22.67 Favored Pre-proline 0 N--CA 1.454 -0.24 0 C-N-CA 123.822 0.849 . . . . 0.0 111.198 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 60.2 Cg_endo -71.08 157.7 57.01 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.417 3.412 . . . . 0.0 111.035 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.98 160.99 33.32 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.642 2.895 . . . . 0.0 111.291 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.83 31.22 0.48 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 124.797 3.665 . . . . 0.0 111.348 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 11' ' ' GLU . 25.6 t0 -132.91 21.1 4.15 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.614 0.366 . . . . 0.0 111.724 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.79 16.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.964 0.905 . . . . 0.0 113.023 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 9' ' ' ASP . 40.3 mt-10 -125.25 10.24 8.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.795 0.838 . . . . 0.0 110.153 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 43.35 0.71 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG2' ' H ' ' A' ' 15' ' ' SER . 55.8 ttm -132.51 145.51 51.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.985 0.914 . . . . 0.0 110.539 -169.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.5 m -70.14 -28.69 65.56 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.595 0.358 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.505 ' H ' ' HG2' ' A' ' 13' ' ' MET . 39.6 m 46.82 50.16 13.68 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 125.574 1.549 . . . . 0.0 113.949 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.85 96.35 3.09 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.711 -0.618 . . . . 0.0 110.153 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HE3' ' C6 ' ' B' ' 103' ' ' ' C' . 1.0 OUTLIER -70.73 155.12 41.17 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.993 0.36 . . . . 0.0 111.221 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 77.6 t -140.33 135.13 35.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.045 0.938 . . . . 0.0 109.368 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -157.12 -174.9 5.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.127 0.971 . . . . 0.0 112.337 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 74.57 6.66 4.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.696 1.999 . . . . 0.0 114.683 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -61.62 175.09 0.66 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.879 0.763 . . . . 0.0 111.148 173.285 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 p -80.03 166.45 21.55 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.042 0.448 . . . . 0.0 111.988 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -77.91 -4.33 46.27 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.815 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -97.85 -18.7 18.57 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 26' ' ' SER . 78.2 m -71.11 167.49 19.19 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 74.4 m -141.62 161.08 53.98 Favored Pre-proline 0 CA--C 1.528 0.108 0 C-N-CA 122.933 0.493 . . . . 0.0 109.873 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 59.7 Cg_endo -69.81 -18.15 36.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.655 2.236 . . . . 0.0 111.678 -175.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.86 -31.18 51.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -50.48 44.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.65 -32.09 73.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.45 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -59.92 -44.86 94.07 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -82.8 -38.84 22.55 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 117.835 0.289 . . . . 0.0 111.291 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.71 -33.94 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 37.9 m-85 -104.31 -11.42 17.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.09 -21.38 64.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.67 -19.05 61.5 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.876 -0.515 . . . . 0.0 112.144 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -87.04 -13.44 44.35 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.401 0.68 . . . . 0.0 111.124 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.65 21.36 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -176.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -64.46 120.45 12.31 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.74 -17.12 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.928 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.29 -58.86 1.93 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 124.875 1.226 . . . . 0.0 111.884 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -151.73 159.11 44.09 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.865 0.866 . . . . 0.0 109.094 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.96 122.69 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -145.82 166.59 25.5 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.1 mt -143.92 93.21 6.16 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 124.672 1.189 . . . . 0.0 107.92 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -62.34 16.59 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.356 1 C-N-CA 125.617 4.211 . . . . 0.0 115.259 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 31.1 ptt180 -41.19 -62.42 0.84 Allowed 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.8 0.84 . . . . 0.0 113.123 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 6.5 m-20 -154.02 -179.49 7.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.168 0.987 . . . . 0.0 109.022 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 44.1 ptt85 -134.64 16.35 3.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.47 0.176 . . . . 0.0 110.828 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -137.52 -21.15 1.16 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.244 0.618 . . . . 0.0 112.237 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -136.01 -10.31 2.02 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 122.717 0.407 . . . . 0.0 112.055 -174.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 32.06 61.38 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.993 1.717 . . . . 0.0 113.273 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.91 -8.52 1.04 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 t -78.47 39.68 0.34 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.765 0.712 . . . . 0.0 111.057 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -65.41 15.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.517 1.527 . . . . 0.0 114.311 -174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 -3.29 16.63 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.223 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -154.49 -176.35 5.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.175 0.987 . . . . 0.0 110.057 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 21' ' ' LEU . . . -154.36 -176.9 6.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.338 0.655 . . . . 0.0 110.042 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -147.98 75.75 1.35 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.184 0.994 . . . . 0.0 109.042 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -76.16 148.44 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -148.75 106.04 3.63 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.733 0.697 . . . . 0.0 112.302 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -79.53 164.38 23.93 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 122.7 0.4 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -122.79 -6.13 8.55 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.142 0.577 . . . . 0.0 112.479 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -123.19 143.48 49.99 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 118.161 0.437 . . . . 0.0 111.18 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.19 -48.49 81.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.425 0.69 . . . . 0.0 112.613 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -73.9 -35.9 64.71 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 117.88 0.309 . . . . 0.0 111.77 -172.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.62 -30.52 67.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.34 -39.09 23.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.96 -30.19 68.57 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 121.779 -0.576 . . . . 0.0 111.243 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -76.22 -38.65 56.14 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.578 0.626 . . . . 0.0 110.29 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.98 70.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.557 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -91.24 -26.33 19.06 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 110.998 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.18 -9.48 58.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.111 0.164 . . . . 0.0 111.063 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 -9.75 3.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.427 ' HB2' HG11 ' A' ' 87' ' ' VAL . 6.0 mmt -115.18 -22.45 9.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.105 0.866 . . . . 0.0 112.909 174.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.35 125.34 23.81 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.834 1.197 . . . . 0.0 110.222 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 4.05 72.13 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.795 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.95 -178.22 1.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.897 0.848 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -141.74 149.56 19.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -140.7 -7.19 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.212 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.4 7.99 0.26 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.432 0.56 . . . . 0.0 111.805 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.05 5.3 44.08 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.551 -0.583 . . . . 0.0 111.883 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -106.82 -149.21 0.43 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -124.57 165.57 17.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 80' ' ' LEU . 83.3 mt -135.63 154.47 51.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -142.69 146.0 33.96 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.673 0.749 . . . . 0.0 111.642 -173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 75' ' ' MET . 2.4 p -164.04 135.12 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.129 176.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -169.3 171.65 7.75 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.57 158.67 20.53 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.96 -173.42 2.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 112.219 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -131.62 175.11 9.45 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.404 1.081 . . . . 0.0 109.063 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 51.57 -165.52 0.05 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.376 0.608 . . . . 0.0 111.347 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -114.47 -35.99 1.36 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 107.166 -2.374 . . . . 0.0 107.166 167.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -170.37 161.89 6.25 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 126.883 2.073 . . . . 0.0 105.54 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.562 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 30.7 Cg_endo -55.62 141.06 84.24 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 124.404 3.403 . . . . 0.0 111.553 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.26 -6.99 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.846 3.031 . . . . 0.0 111.822 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -143.96 -171.67 3.6 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.71 1.204 . . . . 0.0 109.213 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 p -133.01 38.33 3.37 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.412 0.285 . . . . 0.0 111.396 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 45.38 52.08 9.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 112.453 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -52.16 156.33 1.66 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.784 0.834 . . . . 0.0 112.171 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.433 -1.27 . . . . 0.0 110.147 179.821 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.486 0 C5'-C4'-C3' 111.345 -2.77 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.457 ' C6 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 111.098 -2.934 . 0.066 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.562 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C5'-C4'-C3' 110.157 -3.562 . 0.124 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.546 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.673 2 O4'-C1'-N19 114.747 6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . 0.413 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 N19-C1'-C2' 108.417 -3.114 . 0.024 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O4'-C1'-N19 114.745 6.545 . 0.019 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -145.55 11.09 1.27 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 122.883 0.473 . . . . 0.0 111.712 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.79 175.87 9.26 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.088 0.555 . . . . 0.0 110.295 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.28 41.6 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -58.23 153.1 38.38 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.036 0.934 . . . . 0.0 111.527 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 72.5 Cg_endo -73.69 157.88 47.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.239 3.293 . . . . 0.0 110.619 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.59 146.43 53.69 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.701 2.934 . . . . 0.0 111.92 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -77.88 6.57 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.07 3.18 . . . . 0.0 111.818 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -142.87 21.52 1.96 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.16 0.584 . . . . 0.0 111.246 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.26 -20.02 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.201 1.0 . . . . 0.0 111.957 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.16 -6.99 51.0 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.47 0.708 . . . . 0.0 112.555 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.8 30.25 3.79 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.91 0.767 . . . . 0.0 112.996 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.4 mtm -134.61 173.32 11.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 117.93 0.865 . . . . 0.0 110.858 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -56.46 -33.82 66.29 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 123.227 0.611 . . . . 0.0 111.751 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m 40.76 47.56 2.5 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.831 1.252 . . . . 0.0 113.562 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 87' ' ' VAL . 9.7 tp -68.6 92.67 0.47 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.04 0.536 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.612 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 11.7 pttp -70.25 164.01 25.26 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.777 0.717 . . . . 0.0 111.469 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.7 t -143.75 134.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 124.383 1.073 . . . . 0.0 109.053 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -153.41 177.25 11.1 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.518 0.727 . . . . 0.0 112.533 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 91.23 21.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.739 2.016 . . . . 0.0 113.622 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -58.84 175.84 0.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.63 0.772 . . . . 0.0 113.027 177.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -84.33 167.93 16.08 Favored 'General case' 0 CA--C 1.524 -0.058 0 CA-C-O 121.551 0.691 . . . . 0.0 111.07 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -70.87 9.14 0.73 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.603 0.761 . . . . 0.0 111.786 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -133.16 -7.39 3.02 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.088 0.955 . . . . 0.0 112.325 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' HD22 ' A' ' 21' ' ' LEU . 93.7 m -70.22 162.35 28.58 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 69.9 m -139.31 160.21 62.99 Favored Pre-proline 0 C--O 1.233 0.231 0 C-N-CA 123.445 0.698 . . . . 0.0 109.942 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.4 Cg_endo -72.22 -16.41 28.27 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.46 2.106 . . . . 0.0 111.635 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.39 -31.46 42.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -50.22 53.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.0 -30.94 71.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -61.26 -44.68 96.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -81.17 -39.97 24.67 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 122.329 -0.232 . . . . 0.0 110.854 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.2 -33.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 111.207 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.3 m-85 -103.63 -11.2 17.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.26 -21.41 64.81 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.805 0.275 . . . . 0.0 111.695 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.228 -0.064 0 O-C-N 121.83 -0.544 . . . . 0.0 111.795 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -85.47 -14.26 46.61 Favored 'General case' 0 N--CA 1.458 -0.034 0 C-N-CA 123.231 0.612 . . . . 0.0 111.49 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.12 -175.05 23.44 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 108.349 -1.9 . . . . 0.0 108.349 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.27 119.46 10.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 m -58.52 -15.82 6.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.13 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.31 -56.89 2.84 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.554 1.073 . . . . 0.0 112.163 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -156.81 163.58 39.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.813 0.845 . . . . 0.0 108.784 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.7 127.4 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -150.88 155.44 39.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.906 0.384 . . . . 0.0 111.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -141.21 95.04 7.54 Favored Pre-proline 0 N--CA 1.456 -0.166 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 90.0 Cg_endo -74.11 -6.07 17.93 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.377 3.385 . . . . 0.0 115.776 -165.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 47' ' ' ARG . 10.9 mmt-85 35.43 -125.8 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -171.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.1 130.37 20.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 168.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.529 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 8.8 ptm180 -71.44 16.04 0.11 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -168.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.83 -13.01 1.26 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -136.26 -11.19 1.93 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.72 0.408 . . . . 0.0 111.731 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 37.52 48.57 0.9 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.342 1.857 . . . . 0.0 114.065 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.95 5.84 3.1 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -85.51 35.69 0.62 Allowed 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.698 -0.626 . . . . 0.0 111.413 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.07 3.4 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.579 1.552 . . . . 0.0 112.859 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.23 -6.75 34.73 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 119.135 -0.814 . . . . 0.0 114.004 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -153.86 -179.55 7.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.173 1.487 . . . . 0.0 111.617 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.36 178.79 7.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.513 ' CE2' ' C6 ' ' B' ' 104' ' ' ' C' . 0.2 OUTLIER -150.93 62.27 0.92 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 21.5 t -75.3 148.37 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 171.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -152.09 109.09 3.52 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.894 1.224 . . . . 0.0 113.987 -173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.94 167.11 20.91 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.323 0.649 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -132.36 7.49 4.22 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.021 0.528 . . . . 0.0 112.188 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.14 134.37 45.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 122.736 0.414 . . . . 0.0 110.086 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.5 -34.24 75.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -172.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -76.56 -40.24 50.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.934 0.788 . . . . 0.0 110.939 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -70.92 -29.48 65.54 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.49 -41.95 19.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.76 -32.74 74.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.779 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.97 -38.54 66.68 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.527 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.47 71.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 119.265 -0.398 . . . . 0.0 111.525 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -91.25 -27.46 18.43 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 118.76 0.709 . . . . 0.0 110.794 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.9 -10.2 57.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.154 0.182 . . . . 0.0 111.036 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.28 -9.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.5 mmt -115.93 -23.85 8.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.149 0.886 . . . . 0.0 113.208 174.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.99 120.68 11.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.006 1.275 . . . . 0.0 110.153 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.7 4.46 85.19 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.35 -172.35 0.91 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.551 0.676 . . . . 0.0 111.344 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.42 149.28 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.894 0.877 . . . . 0.0 109.137 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 tp -120.39 -60.05 1.71 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.414 0.286 . . . . 0.0 111.599 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -118.05 -7.79 10.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.78 -14.85 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.248 0.452 . . . . 0.0 111.989 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 83' ' ' ARG . 0.9 OUTLIER -93.34 -160.76 0.78 Allowed 'General case' 0 C--N 1.341 0.219 0 CA-C-N 117.411 0.605 . . . . 0.0 109.456 176.307 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.75 169.73 8.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -136.36 156.53 48.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -144.95 154.32 42.46 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.457 0.646 . . . . 0.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -170.02 131.59 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.877 -178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -169.69 165.26 10.08 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 122.91 0.484 . . . . 0.0 109.954 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.09 148.97 46.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.727 0.411 . . . . 0.0 111.194 -177.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.71 177.55 4.09 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.932 0.493 . . . . 0.0 111.612 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -141.96 -6.72 0.96 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.16 -177.89 4.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.104 0.562 . . . . 0.0 111.102 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.89 21.65 5.85 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.351 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 122.97 144.66 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 130.786 3.634 . . . . 0.0 109.391 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.524 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 67.3 Cg_endo -70.25 129.94 17.91 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 125.137 3.891 . . . . 0.0 112.445 -174.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -83.23 179.22 5.25 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.961 3.107 . . . . 0.0 110.055 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.97 31.49 1.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.658 1.183 . . . . 0.0 114.118 174.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -134.68 -26.72 1.36 Allowed 'General case' 0 C--N 1.339 0.12 0 O-C-N 121.964 -0.46 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -157.71 145.44 18.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -166.12 172.22 11.53 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.384 0.674 . . . . 0.0 109.736 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.319 -178.361 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 1 O4'-C1'-N19 114.151 5.951 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . 0.612 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 C5'-C4'-C3' 112.651 -1.9 . 0.469 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' C' . . . . . 0.524 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 N19-C1'-C2' 107.58 -3.637 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' A' . . . . . 0.529 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 O4'-C1'-N19 114.84 6.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . 0.433 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 112.169 3.969 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 114.512 6.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.448 0.642 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.85 148.12 19.76 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 96.4 mtt180 -66.23 152.22 94.51 Favored Pre-proline 0 N--CA 1.448 -0.534 0 C-N-CA 122.535 0.334 . . . . 0.0 110.643 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 75.1 Cg_exo -49.8 148.73 11.95 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 124.461 3.441 . . . . 0.0 112.041 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.81 160.41 40.74 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.714 2.943 . . . . 0.0 111.086 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.1 39.38 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 1 C-N-CA 125.616 4.211 . . . . 0.0 111.145 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -129.31 15.29 6.13 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.063 0.545 . . . . 0.0 111.482 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.25 -10.05 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.23 0.612 . . . . 0.0 112.325 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.67 -7.06 53.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.965 0.506 . . . . 0.0 112.031 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.75 12.46 0.31 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.627 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.503 ' HG2' ' H ' ' A' ' 15' ' ' SER . 57.3 ttm -61.38 141.05 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.99 0.916 . . . . 0.0 110.952 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.5 m -73.05 -29.11 62.73 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.503 ' H ' ' HG2' ' A' ' 13' ' ' MET . 32.8 m 55.96 41.59 29.68 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 124.511 1.125 . . . . 0.0 113.256 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 tp -68.73 144.78 54.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 15.0 pttp -126.97 165.46 19.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.014 0.825 . . . . 0.0 111.846 170.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 92.1 t -140.06 138.52 37.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.928 0.891 . . . . 0.0 109.701 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.95 -177.56 6.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.09 1.356 . . . . 0.0 111.056 -175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 91.03 -0.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.322 2.249 . . . . 0.0 113.526 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.85 179.64 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.841 0.856 . . . . 0.0 111.527 176.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -92.04 169.73 10.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.226 0.536 . . . . 0.0 112.076 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -74.75 7.13 3.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.348 0.659 . . . . 0.0 111.472 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -122.52 -11.44 8.29 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 124.047 0.939 . . . . 0.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -66.44 165.62 14.0 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -143.86 157.44 57.99 Favored Pre-proline 0 C--O 1.233 0.217 0 C-N-CA 122.683 0.393 . . . . 0.0 110.129 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.24 -24.25 23.42 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.875 2.384 . . . . 0.0 112.891 -172.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.0 -28.18 65.3 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -55.22 8.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.39 -29.17 69.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.156 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -61.43 -46.68 89.08 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ttm105 -81.43 -38.69 26.08 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.714 0.406 . . . . 0.0 111.042 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.08 -34.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.262 1.025 . . . . 0.0 111.424 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 33.1 m-85 -100.76 -11.38 19.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.09 -25.8 67.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.391 0.277 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.99 -22.25 59.68 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 122.825 0.45 . . . . 0.0 111.887 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -74.41 -14.77 60.9 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.52 -60.93 0.46 Allowed Glycine 0 C--N 1.34 0.769 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.385 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -153.29 96.61 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.546 0.688 . . . . 0.0 111.401 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.04 59.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . -51.17 -21.89 6.2 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 124.788 1.185 . . . . 0.0 112.671 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -159.02 162.26 36.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 117.924 0.862 . . . . 0.0 110.493 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -157.41 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -151.32 161.9 41.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -142.8 89.73 7.95 Favored Pre-proline 0 CA--C 1.529 0.159 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.34 25.92 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.711 3.608 . . . . 0.0 112.376 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 34.2 ptt180 -32.47 -58.38 0.33 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.888 1.275 . . . . 0.0 112.466 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' HB2' ' H ' ' A' ' 52' ' ' LYS . 3.7 m-20 -156.89 -178.53 7.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -139.66 15.29 2.52 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 110.42 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -134.7 -11.39 2.35 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.024 0.53 . . . . 0.0 111.311 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.6 p -138.64 -18.13 1.09 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.655 0.782 . . . . 0.0 111.224 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' H ' ' HB2' ' A' ' 48' ' ' ASP . 96.4 mttt 35.47 56.51 0.87 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 126.748 2.019 . . . . 0.0 113.284 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -147.83 -0.52 0.62 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -62.54 -46.54 87.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.887 1.221 . . . . 0.0 111.19 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' H ' ' HB2' ' A' ' 47' ' ' ARG . 4.7 ptm180 36.57 19.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.359 2.664 . . . . 0.0 116.498 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.22 -8.87 80.23 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.899 -0.501 . . . . 0.0 112.887 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -158.0 -179.39 8.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.715 0.758 . . . . 0.0 110.311 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.93 -177.29 5.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.922 0.889 . . . . 0.0 109.46 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -144.18 75.6 1.47 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.936 0.895 . . . . 0.0 109.143 -177.177 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 13.1 t -76.15 151.1 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -147.89 155.39 41.55 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-N 119.275 0.943 . . . . 0.0 113.391 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -128.82 159.88 34.34 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.408 1.083 . . . . 0.0 109.835 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 29.0 m-70 -124.04 -2.88 8.13 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -125.76 134.6 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.25 -26.57 67.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -170.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.35 -39.85 64.87 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.355 0.98 . . . . 0.0 110.162 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.44 -26.91 34.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.87 65.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.821 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.43 -36.08 76.31 Favored 'General case' 0 N--CA 1.457 -0.101 0 O-C-N 121.933 -0.479 . . . . 0.0 110.701 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -70.12 -38.01 75.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.881 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.23 71.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.464 -0.303 . . . . 0.0 111.403 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -93.35 -25.66 17.61 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.292 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.34 -8.8 56.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.299 0.24 . . . . 0.0 111.299 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.19 -10.0 2.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.7 mmt -112.07 -28.04 8.15 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.399 0.999 . . . . 0.0 112.818 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.44 116.11 4.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 120.008 1.276 . . . . 0.0 110.213 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.82 3.39 62.33 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.218 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.41 -176.01 1.42 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.154 0.977 . . . . 0.0 110.209 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.21 118.39 17.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.11 -56.69 6.94 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -151.05 -0.56 0.37 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.26 -6.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.352 -0.693 . . . . 0.0 113.684 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -118.43 -172.31 2.25 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-N 118.192 0.996 . . . . 0.0 109.224 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -95.4 169.13 10.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.638 0.256 . . . . 0.0 110.833 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.02 157.03 29.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -136.84 143.92 43.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -162.19 126.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -164.56 167.85 18.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.64 143.45 57.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.96 177.61 2.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.739 0.415 . . . . 0.0 111.322 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -136.01 -8.59 2.07 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 112.293 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -134.22 165.4 25.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.728 0.642 . . . . 0.0 110.051 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.99 10.6 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -174.24 162.47 2.84 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.936 1.694 . . . . 0.0 106.455 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -61.52 143.12 96.93 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 124.052 3.168 . . . . 0.0 110.969 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.26 -22.37 4.93 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.513 2.809 . . . . 0.0 114.176 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -157.56 18.15 0.27 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 N--CA 1.458 -0.06 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.91 175.01 36.78 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -60.39 154.42 53.89 Favored Pre-proline 0 N--CA 1.448 -0.558 0 C-N-CA 123.996 0.918 . . . . 0.0 111.947 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -71.09 163.88 37.67 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 124.643 3.562 . . . . 0.0 109.793 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.44 154.3 69.18 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.699 2.266 . . . . 0.0 110.396 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.59 19.42 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 124.44 3.427 . . . . 0.0 112.551 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -134.68 20.12 3.57 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.591 0.632 . . . . 0.0 111.795 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.46 -20.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 O-C-N 121.756 -0.59 . . . . 0.0 110.448 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.16 1.01 12.17 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.783 0.833 . . . . 0.0 111.608 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.75 17.82 3.02 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.554 0.597 . . . . 0.0 111.652 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.1 mtm -143.72 174.51 10.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.784 0.833 . . . . 0.0 109.86 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -66.18 168.76 8.02 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -154.08 57.56 0.72 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.718 0.407 . . . . 0.0 110.652 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 21.6 tp -69.83 150.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 36.4 tttp -126.12 154.69 42.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.829 0.852 . . . . 0.0 109.945 174.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 87' ' ' VAL . 71.6 t -136.57 136.55 48.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 124.306 1.042 . . . . 0.0 108.301 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.06 179.24 9.33 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t30 84.38 18.46 0.17 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.83 2.052 . . . . 0.0 114.075 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.3 169.36 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -81.24 169.81 16.86 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -71.18 8.17 1.06 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.827 0.451 . . . . 0.0 111.653 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -130.55 -7.87 4.13 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.039 0.936 . . . . 0.0 111.989 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -71.02 162.75 28.9 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.982 0.356 . . . . 0.0 110.142 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.77 156.32 62.73 Favored Pre-proline 0 N--CA 1.455 -0.192 0 C-N-CA 123.203 0.601 . . . . 0.0 109.454 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.56 -17.85 29.67 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 122.841 2.361 . . . . 0.0 112.149 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -76.11 -31.05 58.49 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -50.21 34.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.53 -31.85 73.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.311 0.382 . . . . 0.0 110.762 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.36 -48.01 83.27 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -81.28 -37.12 28.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.688 0.395 . . . . 0.0 111.061 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.09 -36.01 69.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 124.008 0.923 . . . . 0.0 111.419 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.4 m-85 -99.07 -11.71 21.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.85 -25.07 67.75 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.51 0.324 . . . . 0.0 111.534 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.12 -20.88 57.24 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.15 -14.95 59.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.15 0.281 . . . . 0.0 110.826 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.1 -73.06 0.26 Allowed Glycine 0 C--N 1.341 0.849 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.483 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -150.21 101.68 3.02 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-O 122.167 0.984 . . . . 0.0 111.515 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.5 55.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.21 -17.63 4.15 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 124.544 1.069 . . . . 0.0 113.843 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -155.23 157.91 38.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.98 0.89 . . . . 0.0 109.76 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.39 131.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.51 156.53 43.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mt -145.5 94.76 5.1 Favored Pre-proline 0 C--O 1.231 0.124 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 24.7 Cg_exo -63.19 -22.23 72.64 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.471 3.447 . . . . 0.0 116.946 -173.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 32.07 -110.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.015 0.926 . . . . 0.0 109.223 -166.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -146.39 128.34 15.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -71.9 21.04 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -171.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -134.92 -7.02 2.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 111.348 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 p -140.62 -29.43 0.68 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.233 0.613 . . . . 0.0 110.436 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 48.54 33.48 4.12 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.056 1.743 . . . . 0.0 113.437 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -135.83 11.61 3.39 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -60.3 -30.47 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.715 0.689 . . . . 0.0 111.654 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 24.33 75.37 0.02 OUTLIER 'General case' 0 C--N 1.342 0.241 0 C-N-CA 126.719 2.008 . . . . 0.0 113.83 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.49 -1.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.473 -0.626 . . . . 0.0 113.551 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 23.0 p90 -157.87 179.5 9.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.391 1.095 . . . . 0.0 109.958 177.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.88 -176.16 5.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.408 0.623 . . . . 0.0 111.279 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -149.05 56.11 1.0 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.48 1.512 . . . . 0.0 108.306 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 3.7 t -68.88 144.64 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 18.5 ttp180 -144.71 154.92 43.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -172.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.09 164.02 21.8 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.648 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.95 8.94 5.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.8 131.78 37.91 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -63.77 -34.71 78.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -69.03 -38.88 79.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.582 0.628 . . . . 0.0 110.644 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -77.12 -27.5 54.04 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -35.76 51.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.453 0.301 . . . . 0.0 111.539 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -71.19 -33.07 69.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.23 -0.294 . . . . 0.0 110.482 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -71.56 -38.21 71.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.385 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.27 72.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 119.392 -0.337 . . . . 0.0 111.546 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -90.08 -28.42 19.02 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 118.589 0.632 . . . . 0.0 110.63 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.82 -8.56 44.64 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.883 -0.511 . . . . 0.0 111.294 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.47 -7.96 3.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.2 mmt -120.69 -24.98 5.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.81 0.732 . . . . 0.0 112.917 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.24 126.09 28.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 119.815 1.189 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.55 0.92 90.37 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 123.174 0.416 . . . . 0.0 112.324 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.71 -178.77 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.477 0.638 . . . . 0.0 110.449 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.23 143.4 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.324 0.583 . . . . 0.0 111.022 -174.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 82' ' ' GLY . 67.1 tp -149.81 139.39 21.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.9 t70 54.68 0.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.654 1.582 . . . . 0.0 113.192 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.91 -1.6 31.74 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 177.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -94.6 -158.41 0.63 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 117.72 0.76 . . . . 0.0 109.813 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -113.7 166.65 11.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.6 152.32 51.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 16.8 mmt180 -140.19 141.21 35.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.859 0.361 . . . . 0.0 111.231 -170.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 75' ' ' MET . 48.3 t -151.43 124.1 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.03 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -163.31 166.17 23.35 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 123.039 0.536 . . . . 0.0 109.845 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.79 146.15 54.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.55 0.34 . . . . 0.0 110.714 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.23 177.55 3.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.577 0.751 . . . . 0.0 112.704 -175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.09 175.3 9.7 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.726 1.21 . . . . 0.0 109.985 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 49.69 -159.84 0.06 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.806 0.842 . . . . 0.0 112.662 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.21 16.01 3.67 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 119.118 -0.823 . . . . 0.0 111.674 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 119.63 155.54 0.0 OUTLIER Pre-proline 0 C--N 1.343 0.31 0 C-N-CA 130.978 3.711 . . . . 0.0 109.315 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -44.92 132.69 10.82 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.554 3.502 . . . . 0.0 113.087 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -81.43 -19.9 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.668 2.912 . . . . 0.0 113.039 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -159.03 10.9 0.14 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.332 -0.158 0 O-C-N 121.751 -0.593 . . . . 0.0 111.495 -179.667 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.68 177.24 44.58 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -55.31 148.91 29.49 Favored Pre-proline 0 N--CA 1.448 -0.571 0 C-N-CA 123.739 0.815 . . . . 0.0 110.372 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 157.42 57.13 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 124.345 3.363 . . . . 0.0 111.213 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -53.73 157.95 9.15 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.936 3.091 . . . . 0.0 112.249 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.36 171.49 17.97 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.769 2.979 . . . . 0.0 111.036 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 56.08 17.62 2.77 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.018 1.327 . . . . 0.0 112.528 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.62 -13.36 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 122.059 -0.4 . . . . 0.0 111.254 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -72.49 -2.8 21.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.707 0.803 . . . . 0.0 111.452 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.35 36.03 1.3 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.638 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.56 172.79 11.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.827 0.813 . . . . 0.0 110.406 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.1 m -56.37 -34.12 66.35 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.836 0.855 . . . . 0.0 112.631 -172.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.7 m 42.26 43.07 2.8 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.39 1.076 . . . . 0.0 113.208 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.4 tm? -69.72 114.26 7.76 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 11.1 pttp -104.03 169.49 8.47 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 97.6 t -138.81 139.05 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.091 0.956 . . . . 0.0 109.786 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.68 -174.65 4.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.432 1.093 . . . . 0.0 112.176 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 77.79 -4.61 2.23 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 127.167 2.187 . . . . 0.0 114.422 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.795 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -54.97 168.24 0.32 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.068 0.849 . . . . 0.0 111.777 176.09 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.5 p -70.08 163.35 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.248 0.546 . . . . 0.0 111.984 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -74.18 7.15 2.92 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.821 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -118.74 -14.83 9.51 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.057 0.943 . . . . 0.0 111.526 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 26' ' ' SER . 72.0 m -70.04 169.07 14.14 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 171.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 72.5 m -141.71 158.71 62.17 Favored Pre-proline 0 C--N 1.331 -0.2 0 C-N-CA 122.632 0.373 . . . . 0.0 110.287 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 57.6 Cg_endo -69.67 -21.59 33.68 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.973 2.449 . . . . 0.0 112.5 -174.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.49 -30.42 53.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -48.27 62.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.57 -30.13 71.29 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.89 -43.89 97.86 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -84.85 -39.02 18.79 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 117.932 0.333 . . . . 0.0 110.875 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.25 -32.01 43.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.729 0.812 . . . . 0.0 111.128 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.1 m-85 -108.05 -10.35 15.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.957 0.344 . . . . 0.0 111.727 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.21 -26.22 65.61 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.357 -0.214 . . . . 0.0 111.084 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.51 -19.76 63.72 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.03 -0.419 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -80.5 -8.86 59.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.136 0.574 . . . . 0.0 111.009 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.73 -84.79 0.15 Allowed Glycine 0 C--N 1.338 0.681 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -152.63 126.64 9.07 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -56.23 -20.49 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 119.407 -0.33 . . . . 0.0 111.81 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.64 -49.43 2.03 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 124.98 1.276 . . . . 0.0 111.981 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.69 163.13 29.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.029 0.932 . . . . 0.0 108.695 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.06 132.45 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -152.53 172.61 16.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.715 0.406 . . . . 0.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 47' ' ' ARG . 22.1 mt -140.54 101.8 6.63 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.31 12.69 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.378 1 C-N-CA 126.98 5.12 . . . . 0.0 116.408 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 45' ' ' ILE . 63.4 ttt180 -50.51 139.99 14.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.791 0.836 . . . . 0.0 109.61 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.49 136.4 32.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.0 0.428 . . . . 0.0 111.307 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -77.49 0.7 21.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.367 1.067 . . . . 0.0 112.756 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.25 -12.91 0.41 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -129.87 -13.26 4.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.112 0.415 . . . . 0.0 111.27 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.1 23.24 1.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.83 -0.06 41.69 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m -117.53 33.58 5.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -68.56 0.96 3.5 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.6 0.36 . . . . 0.0 111.17 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.51 -8.95 34.91 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.062 0.839 . . . . 0.0 114.148 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.73 -176.83 6.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 1.212 . . . . 0.0 110.682 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.85 -176.9 5.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.519 0.728 . . . . 0.0 110.446 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.33 79.46 1.58 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.214 0.606 . . . . 0.0 110.371 -176.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 99.4 t -76.35 159.97 5.09 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 169.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -157.09 103.41 2.02 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.611 1.096 . . . . 0.0 112.477 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -79.28 164.86 23.79 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.978 0.511 . . . . 0.0 109.919 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -131.22 10.03 4.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -133.68 129.59 37.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -61.38 -32.44 72.37 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -73.39 -39.39 65.14 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.836 0.744 . . . . 0.0 110.631 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.12 -29.71 54.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.05 71.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.206 0.602 . . . . 0.0 111.59 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.85 -34.37 73.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.741 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.39 -37.07 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.581 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.41 73.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.8 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -89.7 -29.06 19.02 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.497 0.589 . . . . 0.0 110.735 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.41 -9.87 51.37 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.875 0.307 . . . . 0.0 111.103 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.35 -7.11 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -122.97 -24.82 4.69 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 175.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.46 125.22 25.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 120.112 1.324 . . . . 0.0 109.859 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.77 0.79 88.69 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.226 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.51 -173.76 0.78 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.448 0.624 . . . . 0.0 111.071 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.0 145.65 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.404 0.682 . . . . 0.0 109.406 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 80' ' ' LEU . 3.1 tm? -105.52 -52.52 2.81 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.183 0.593 . . . . 0.0 109.801 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.57 -5.59 0.93 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.82 -14.42 0.34 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.769 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -92.62 -157.44 0.53 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 117.522 0.661 . . . . 0.0 109.712 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -113.46 168.74 9.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.51 159.22 41.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -143.57 139.52 29.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.413 0.285 . . . . 0.0 110.598 -173.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 16' ' ' LEU . 48.0 t -150.65 122.14 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -166.52 162.56 16.82 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.695 0.398 . . . . 0.0 110.708 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -62.88 151.66 38.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.932 0.493 . . . . 0.0 111.491 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.25 177.47 3.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -124.23 -12.22 7.39 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.75 0.82 . . . . 0.0 111.554 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -152.27 172.18 16.83 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.497 0.719 . . . . 0.0 109.387 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.87 10.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -153.57 152.06 26.56 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.966 1.707 . . . . 0.0 107.729 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 19.2 Cg_endo -56.01 132.49 52.29 Favored 'Trans proline' 0 N--CA 1.455 -0.774 1 C-N-CA 125.384 4.056 . . . . 0.0 110.486 176.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 71.1 Cg_exo -52.37 -30.59 43.85 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.753 2.969 . . . . 0.0 113.307 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -162.75 130.76 3.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.826 0.45 . . . . 0.0 110.251 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 CA--C 1.528 0.107 0 C-N-CA 123.413 0.685 . . . . 0.0 111.087 175.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 169.44 42.56 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptm85 -53.07 151.23 9.26 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 123.892 0.877 . . . . 0.0 111.091 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.6 152.37 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 124.274 3.316 . . . . 0.0 110.074 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.93 161.94 42.3 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.61 2.873 . . . . 0.0 111.302 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -81.79 178.53 6.43 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.148 3.232 . . . . 0.0 110.975 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 58.9 17.98 5.78 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.032 1.333 . . . . 0.0 113.317 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.48 -19.36 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 122.029 -0.419 . . . . 0.0 110.729 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.26 -0.62 6.4 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.368 0.667 . . . . 0.0 111.427 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.83 22.27 3.14 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.08 0.848 . . . . 0.0 111.413 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.0 mtm -140.85 170.48 15.67 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.667 0.787 . . . . 0.0 109.969 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -64.62 163.61 13.41 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.952 0.501 . . . . 0.0 109.885 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 m -149.93 56.52 0.96 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.782 0.433 . . . . 0.0 110.385 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 24.6 tp -70.0 147.37 50.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 28.8 tttp -126.39 156.29 40.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.665 0.603 . . . . 0.0 110.406 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 65.8 t -138.06 139.1 42.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 124.619 1.168 . . . . 0.0 109.145 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -158.12 172.55 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 112.085 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 103.97 20.05 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.41 2.684 . . . . 0.0 111.741 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 173.38 0.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -89.34 168.12 12.49 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 123.079 0.551 . . . . 0.0 110.973 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 6.94 0.85 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 111.666 176.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -128.71 -9.05 5.03 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.983 0.913 . . . . 0.0 111.816 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 26' ' ' SER . 89.5 m -67.51 163.32 21.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.672 0.389 . . . . 0.0 110.473 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.409 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 54.6 m -144.68 160.87 45.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 C-N-CA 123.953 0.901 . . . . 0.0 109.106 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 55.9 Cg_endo -69.14 -20.15 38.16 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.196 1.931 . . . . 0.0 111.994 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.73 -32.74 35.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.75 0.704 . . . . 0.0 111.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -47.08 68.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.16 -23.97 66.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.724 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -65.42 -41.23 93.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.055 -0.403 . . . . 0.0 110.104 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -84.75 -39.96 17.85 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 122.354 0.262 . . . . 0.0 110.747 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.03 -35.32 51.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 123.142 0.577 . . . . 0.0 111.41 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -100.11 -11.5 20.45 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.66 -29.0 67.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.75 -21.46 60.19 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -83.14 -17.32 43.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.29 0.236 . . . . 0.0 111.331 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.25 -159.01 27.04 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -61.19 87.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.398 1.479 . . . . 0.0 112.541 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.54 61.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.11 -14.22 31.26 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.037 1.303 . . . . 0.0 113.427 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 2.8 t0 -151.21 162.94 39.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.765 0.782 . . . . 0.0 109.208 172.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 7.1 p -158.18 29.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -169.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.37 157.49 29.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -167.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.61 92.24 6.57 Favored Pre-proline 0 C--N 1.333 -0.11 0 C-N-CA 126.817 2.047 . . . . 0.0 106.155 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.59 21.99 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 1 C-N-CA 125.37 4.047 . . . . 0.0 115.754 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -49.53 145.56 4.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.582 1.083 . . . . 0.0 109.269 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -40.65 121.98 1.57 Allowed 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 111.988 -169.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -70.34 12.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -137.25 -19.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.7 p -141.47 -2.41 1.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 37.56 55.73 1.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.364 1.466 . . . . 0.0 113.33 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -119.73 19.82 12.43 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -128.65 32.68 4.77 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.897 0.479 . . . . 0.0 111.023 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.14 -4.72 0.85 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.77 1.228 . . . . 0.0 111.926 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.34 3.4 2.49 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.033 1.302 . . . . 0.0 114.757 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -153.8 172.95 16.54 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.175 1.488 . . . . 0.0 110.588 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.08 175.11 10.11 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.351 0.66 . . . . 0.0 111.424 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.6 62.04 0.81 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.309 1.443 . . . . 0.0 108.087 -177.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 13.4 t -75.85 144.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . 22.3 ttp180 -144.94 157.92 43.98 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -126.94 159.07 35.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.137 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -126.89 14.37 7.41 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.132 0.573 . . . . 0.0 112.278 -174.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.93 136.61 35.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -63.74 -29.49 70.7 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.92 -41.53 61.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.741 0.7 . . . . 0.0 110.099 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -73.14 -29.48 62.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.49 35.67 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.763 -0.586 . . . . 0.0 110.424 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.76 -38.6 64.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.493 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.14 72.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.534 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.35 -29.43 20.3 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.643 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.98 -8.26 47.52 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.236 -0.29 . . . . 0.0 111.248 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.34 -7.17 2.95 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB2' HG21 ' A' ' 87' ' ' VAL . 3.9 mmt -123.92 -16.53 6.57 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.49 58.71 1.04 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.722 1.147 . . . . 0.0 111.639 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.48 -4.7 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.904 0.764 . . . . 0.0 112.182 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -177.23 1.02 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.703 0.801 . . . . 0.0 111.972 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.8 t -131.88 135.77 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.807 0.843 . . . . 0.0 108.963 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tt -92.81 -50.74 5.42 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.643 0.377 . . . . 0.0 110.423 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.85 -1.78 0.57 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.967 0.507 . . . . 0.0 112.095 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.09 -6.26 0.16 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 118.75 0.705 . . . . 0.0 113.727 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -115.77 -165.93 1.09 Allowed 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.283 1.042 . . . . 0.0 109.19 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.85 168.0 9.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -173.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.5 mt -129.5 157.85 40.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -135.38 136.51 41.51 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 75' ' ' MET . 55.5 t -148.18 119.79 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -160.61 168.38 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.041 0.536 . . . . 0.0 109.818 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.98 149.4 49.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.103 0.478 . . . . 0.0 111.418 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.32 -176.8 5.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.523 0.729 . . . . 0.0 112.395 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -139.85 177.33 8.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.02 0.928 . . . . 0.0 110.491 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 50.87 -163.05 0.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.973 0.909 . . . . 0.0 112.178 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.67 -33.76 0.37 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 146.1 11.89 Favored Pre-proline 0 N--CA 1.44 -0.961 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 169.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -58.0 117.18 3.85 Favored 'Trans proline' 0 N--CA 1.453 -0.856 1 C-N-CA 125.743 4.295 . . . . 0.0 111.097 174.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.61 -1.16 11.36 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 124.149 3.233 . . . . 0.0 112.066 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -120.88 25.01 9.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.232 0.153 0 C-N-CA 122.758 0.423 . . . . 0.0 111.003 -179.438 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 C--O 1.232 0.162 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.89 170.09 39.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.4 ptm180 -64.94 150.05 95.67 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.577 0.751 . . . . 0.0 111.245 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 50.6 Cg_exo -54.16 160.19 6.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.926 3.751 . . . . 0.0 112.323 173.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.88 158.32 57.19 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.546 2.164 . . . . 0.0 110.193 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.55 20.64 0.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.952 3.768 . . . . 0.0 113.037 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.26 11.42 3.54 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.832 0.742 . . . . 0.0 111.972 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.92 -11.46 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.859 -0.525 . . . . 0.0 111.521 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.58 -0.49 26.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.965 0.506 . . . . 0.0 111.459 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 30.56 0.44 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -143.4 162.92 34.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.227 0.611 . . . . 0.0 109.927 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -56.27 152.25 11.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.076 0.55 . . . . 0.0 110.779 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 m -149.0 53.23 0.97 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.491 0.716 . . . . 0.0 110.058 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.8 tm? -68.77 98.59 0.93 Allowed 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.553 0.741 . . . . 0.0 109.895 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 40.4 tttp -81.07 155.24 26.41 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.497 0.719 . . . . 0.0 111.411 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 71.9 t -135.48 136.03 51.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.599 1.16 . . . . 0.0 108.738 176.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -157.32 -178.31 7.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 112.721 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t30 82.67 1.17 1.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.35 2.26 . . . . 0.0 114.456 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.907 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.47 173.53 0.26 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.749 0.82 . . . . 0.0 112.952 176.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 p -71.28 167.97 18.32 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 121.785 0.803 . . . . 0.0 112.586 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -76.33 11.19 1.64 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.138 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -127.6 -10.51 5.62 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.839 0.856 . . . . 0.0 111.55 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -69.05 164.7 21.84 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 64.4 m -138.39 163.26 48.48 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 66.6 Cg_endo -71.44 -21.19 26.5 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 121.857 1.705 . . . . 0.0 110.943 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.25 -33.33 63.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.316 -0.24 . . . . 0.0 110.947 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -38.02 61.93 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -71.82 -39.76 69.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.38 -44.11 68.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -71.1 -55.71 7.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 34' ' ' PHE . 13.6 p -66.88 -25.97 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -173.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.542 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.5 m-85 -89.5 -14.86 34.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.991 0.36 . . . . 0.0 111.025 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -59.22 -22.14 60.61 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -85.3 -20.85 29.39 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.844 -0.535 . . . . 0.0 112.083 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -82.22 -18.79 41.34 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 122.292 0.237 . . . . 0.0 110.548 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.23 -157.02 27.26 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-O 122.082 0.823 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -67.11 86.87 0.15 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 112.044 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.0 p -71.87 53.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 167.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.99 -13.29 13.54 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.04 1.305 . . . . 0.0 113.753 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -154.89 154.69 33.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.407 1.104 . . . . 0.0 109.261 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.01 132.43 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -146.67 161.2 41.07 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mt -145.77 90.98 5.75 Favored Pre-proline 0 C--O 1.232 0.157 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.0 -28.11 85.79 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.632 2.888 . . . . 0.0 114.414 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 30.6 ptt180 21.91 -101.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.114 1.766 . . . . 0.0 110.985 -172.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.544 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 14.2 m-20 -143.1 127.01 17.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 169.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.32 8.36 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -143.66 -14.06 0.66 Allowed 'General case' 0 C--N 1.339 0.128 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.9 p -138.76 -5.27 1.53 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 38.37 28.23 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.471 1.908 . . . . 0.0 115.296 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.43 12.01 11.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' GLY . 42.9 m -132.68 37.3 3.48 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.211 0.459 . . . . 0.0 112.006 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -65.48 8.24 0.18 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.898 0.879 . . . . 0.0 112.606 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -72.14 8.38 6.66 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.297 0.951 . . . . 0.0 113.684 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -157.44 177.22 11.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.449 1.124 . . . . 0.0 110.431 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.1 -173.47 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.051 0.54 . . . . 0.0 110.895 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.58 58.46 1.06 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.447 1.499 . . . . 0.0 107.634 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 15.4 t -66.72 148.73 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 174.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 16.1 ttp180 -143.68 143.78 31.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 119.057 0.844 . . . . 0.0 113.076 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -115.79 156.94 25.14 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.633 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -122.52 13.14 10.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.563 0.745 . . . . 0.0 112.462 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -140.74 136.02 32.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.86 -23.0 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.14 -40.54 67.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.276 0.943 . . . . 0.0 109.94 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.36 -30.71 60.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.1 74.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.724 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.07 -33.26 71.68 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -73.22 -39.52 65.45 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.54 0.609 . . . . 0.0 110.689 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.76 72.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.956 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -87.99 -28.41 21.45 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.639 0.654 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.39 -9.18 52.39 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.377 -0.202 . . . . 0.0 111.254 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.3 -4.49 3.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.489 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.4 mmt -124.35 -22.89 4.6 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.086 0.857 . . . . 0.0 113.213 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.57 125.71 27.04 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.942 1.246 . . . . 0.0 109.818 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.8 3.45 83.93 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.817 -0.435 . . . . 0.0 112.118 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 -177.08 1.3 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.684 0.742 . . . . 0.0 111.522 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.1 t -141.1 148.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 108.997 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -139.71 -7.39 1.27 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -155.85 7.97 0.24 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.341 0.518 . . . . 0.0 112.211 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.9 36.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -112.67 -149.98 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.552 0.741 . . . . 0.0 109.034 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -124.49 164.94 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.401 0.68 . . . . 0.0 109.479 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.428 HD21 HD22 ' A' ' 80' ' ' LEU . 88.7 mt -136.05 156.27 48.97 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -141.83 142.67 33.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.065 0.459 . . . . 0.0 111.227 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.527 ' CG1' HD11 ' A' ' 16' ' ' LEU . 57.2 t -152.82 123.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.598 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -167.55 162.77 14.51 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 122.598 0.359 . . . . 0.0 110.111 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.0 151.81 41.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.2 172.9 2.77 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.65 0.38 . . . . 0.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -135.95 -5.77 2.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -132.34 174.71 9.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.537 0.735 . . . . 0.0 110.445 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.39 11.51 26.14 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.744 -1.031 . . . . 0.0 111.981 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 118.3 154.17 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.278 0 C-N-CA 130.511 3.524 . . . . 0.0 109.696 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -47.61 128.74 15.9 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.47 3.447 . . . . 0.0 111.642 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -79.13 -11.7 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.347 2.698 . . . . 0.0 111.973 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -157.28 31.35 0.29 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.826 0.45 . . . . 0.0 110.696 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.9 p . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 124.494 1.117 . . . . 0.0 111.57 -174.278 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 121.821 0.82 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 19.07 0.37 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -152.02 131.46 6.8 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.9 120.17 5.68 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.445 2.764 . . . . 0.0 112.12 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.1 169.09 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.865 3.043 . . . . 0.0 109.87 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.52 156.85 60.5 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.234 2.623 . . . . 0.0 109.549 173.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -154.96 11.48 0.36 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.62 -2.89 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.0 -9.58 58.26 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.578 -0.701 . . . . 0.0 112.022 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.62 28.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.555 -0.58 . . . . 0.0 111.662 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -138.09 -175.48 4.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.162 0.585 . . . . 0.0 110.688 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -123.29 -173.07 2.64 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.056 0.942 . . . . 0.0 108.696 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -149.24 126.58 11.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.922 -0.487 . . . . 0.0 110.805 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.25 111.9 15.78 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.171 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 50.5 tttp -77.77 142.52 38.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 123.82 0.7 . . . . 0.0 111.291 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 60' ' ' VAL . 50.3 t -128.14 134.4 65.12 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -152.15 -172.79 4.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.577 1.151 . . . . 0.0 112.3 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.49 89.85 0.07 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 112.499 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.8 pp -139.4 171.85 13.66 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.932 0.493 . . . . 0.0 112.002 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.0 p -67.02 164.38 17.9 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 121.188 0.518 . . . . 0.0 111.572 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.48 12.14 0.38 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 0.0 111.295 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -128.13 -16.73 4.47 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.253 0.621 . . . . 0.0 112.311 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.7 m -65.16 160.72 20.64 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.571 0.623 . . . . 0.0 109.59 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 11.7 p -141.98 167.49 16.57 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.609 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 59.0 Cg_endo -68.79 -19.27 41.23 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.386 2.058 . . . . 0.0 111.6 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.17 -32.17 44.14 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -52.7 39.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 21' ' ' LEU . 60.2 mt -61.83 -35.04 77.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.5 tpt180 -57.96 -42.95 86.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -86.07 -37.43 18.87 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 122.985 0.514 . . . . 0.0 111.668 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.9 -33.86 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 110.828 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 41.3 m-85 -106.43 -11.13 16.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.569 0.348 . . . . 0.0 111.864 -174.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' ARG . 23.1 tt0 -69.07 -20.85 64.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.231 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.06 -18.97 62.54 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 122.062 -0.399 . . . . 0.0 111.746 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.41 -16.87 35.9 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.702 0.801 . . . . 0.0 110.97 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.73 -172.58 23.56 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -66.99 113.02 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.25 -6.47 3.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.439 ' CA ' ' CD2' ' A' ' 63' ' ' HIS . . . 69.49 -60.96 0.64 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 125.814 1.674 . . . . 0.0 113.313 174.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -152.45 169.84 21.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 109.495 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.0 t -143.91 137.25 24.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -151.62 163.16 39.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.17 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.2 mt -144.33 100.43 4.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -54.65 20.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 1 C-N-CA 126.923 5.082 . . . . 0.0 116.877 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -47.1 122.72 4.68 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.68 131.95 25.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.113 0.482 . . . . 0.0 111.125 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -67.07 -4.92 11.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.802 1.241 . . . . 0.0 113.692 -171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -144.0 -11.1 0.66 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -135.52 -4.0 2.33 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 118.422 0.555 . . . . 0.0 111.814 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 46.88 19.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.612 1.565 . . . . 0.0 114.829 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 15.58 0.1 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -134.58 17.91 3.61 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.488 0.585 . . . . 0.0 111.297 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -11.52 27.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.981 0.913 . . . . 0.0 111.937 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.97 4.23 58.48 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.161 -0.8 . . . . 0.0 114.373 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -154.74 -175.13 5.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 1.442 . . . . 0.0 110.974 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.2 -176.72 5.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.247 0.546 . . . . 0.0 111.882 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.47 71.51 0.94 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 109.235 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 18' ' ' VAL . 1.3 m -69.32 163.05 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -147.57 84.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.858 0.754 . . . . 0.0 112.689 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.75 148.13 47.67 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.439 ' CD2' ' CA ' ' A' ' 41' ' ' GLY . 53.3 m-70 -104.77 -8.66 18.64 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.923 0.765 . . . . 0.0 112.258 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -127.45 132.01 50.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.431 0.634 . . . . 0.0 109.774 -175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -67.89 -27.14 66.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.569 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -71.18 -43.11 68.1 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 118.618 0.645 . . . . 0.0 110.186 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -71.85 -28.46 63.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.27 -40.7 43.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.52 -32.19 71.97 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.832 -0.542 . . . . 0.0 110.857 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -73.44 -39.26 65.13 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.377 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.291 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -88.57 -28.17 20.9 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.515 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.75 -10.0 59.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.097 0.159 . . . . 0.0 111.371 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.29 -6.7 4.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.9 mmt -119.95 -23.35 6.42 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.01 122.19 17.21 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 120.177 1.353 . . . . 0.0 110.21 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.34 3.09 81.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.226 0.441 . . . . 0.0 112.112 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.32 -173.47 1.71 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.502 0.651 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.8 t -137.65 147.58 26.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.793 0.837 . . . . 0.0 109.993 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 82' ' ' GLY . 19.2 tp -148.37 119.76 7.89 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.348 1.059 . . . . 0.0 108.285 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t70 62.7 -11.26 0.08 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.855 0.862 . . . . 0.0 112.906 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 131.84 -3.56 5.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 118.476 0.58 . . . . 0.0 111.975 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HD2' HD21 ' A' ' 85' ' ' LEU . 18.4 ptp180 -74.93 -163.75 0.24 Allowed 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 124.46 1.104 . . . . 0.0 111.743 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.94 158.08 29.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 83' ' ' ARG . 75.7 mt -132.52 150.4 52.16 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -176.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 27.1 mmt180 -142.85 135.13 27.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.175 0.59 . . . . 0.0 110.215 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -151.77 124.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 123.848 0.859 . . . . 0.0 108.741 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -163.02 165.15 25.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.37 145.98 52.5 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.49 0.316 . . . . 0.0 110.315 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.94 9.85 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 111.371 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -146.11 -175.57 4.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.374 0.669 . . . . 0.0 110.94 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 56.26 -169.62 0.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.689 1.195 . . . . 0.0 112.91 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.92 43.16 1.3 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.894 -1.283 . . . . 0.0 109.894 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 67.03 151.85 0.12 Allowed Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.523 1.929 . . . . 0.0 112.486 -174.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.23 120.55 5.75 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 125.3 4.0 . . . . 0.0 112.565 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -85.0 -15.73 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.452 2.768 . . . . 0.0 113.128 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -155.27 15.89 0.4 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.243 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.64 169.8 42.81 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -56.52 152.51 24.64 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 123.66 0.784 . . . . 0.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.19 159.69 52.21 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.403 3.402 . . . . 0.0 110.466 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.06 153.16 12.91 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.654 2.903 . . . . 0.0 112.488 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.25 9.71 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 124.237 3.292 . . . . 0.0 112.193 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 11' ' ' GLU . 27.1 t0 -139.27 24.22 2.51 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.773 -0.579 . . . . 0.0 111.527 -173.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.0 12.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.164 0.585 . . . . 0.0 112.057 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 9' ' ' ASP . 37.1 mt-10 -124.68 11.21 8.47 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.783 0.833 . . . . 0.0 109.793 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.32 17.9 2.09 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.075 0.845 . . . . 0.0 111.509 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.3 mtm -140.34 172.6 12.5 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.713 0.805 . . . . 0.0 110.014 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -63.52 159.25 19.03 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -150.76 125.75 9.84 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 98.17 5.01 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.175 0.297 . . . . 0.0 110.917 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 51.0 tttp -66.37 148.98 51.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.851 0.86 . . . . 0.0 111.031 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.406 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.5 t -133.66 131.87 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.89 -169.28 3.29 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.456 1.102 . . . . 0.0 111.101 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 53.7 98.34 0.01 OUTLIER 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.383 1.473 . . . . 0.0 111.975 -170.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -146.22 175.25 10.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.461 0.704 . . . . 0.0 110.96 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -83.28 168.91 16.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.404 0.621 . . . . 0.0 111.538 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.29 8.22 1.08 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.26 0.624 . . . . 0.0 111.229 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.62 -8.88 5.64 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 111.925 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -68.37 161.83 26.63 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -142.78 161.02 51.28 Favored Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 122.671 0.388 . . . . 0.0 110.098 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.39 -21.11 35.69 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.786 1.657 . . . . 0.0 111.376 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.32 -36.28 68.84 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.943 0.338 . . . . 0.0 110.562 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -66.86 -52.49 42.89 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.285 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 mt -58.24 -30.09 66.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.536 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.26 -47.03 86.16 Favored 'General case' 0 C--O 1.225 -0.229 0 O-C-N 122.052 -0.405 . . . . 0.0 110.147 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.663 0.665 . . . . 0.0 112.401 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 30' ' ' LEU . 14.9 m -63.76 -24.44 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.646 0.778 . . . . 0.0 111.526 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' HG23 ' A' ' 33' ' ' VAL . 47.3 m-85 -102.86 -16.89 15.76 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.85 -24.79 67.88 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.271 0.941 . . . . 0.0 111.292 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.25 -19.7 64.75 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -80.69 -11.72 59.58 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 122.975 0.51 . . . . 0.0 111.135 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.11 -82.3 0.15 Allowed Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -159.05 123.99 4.15 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 -21.45 15.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.677 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.73 -49.65 1.38 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.993 1.282 . . . . 0.0 112.103 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -155.46 158.98 39.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.724 1.21 . . . . 0.0 107.974 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.83 116.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -143.88 159.01 43.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -144.21 94.37 5.77 Favored Pre-proline 0 CA--C 1.53 0.208 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 174.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -79.79 18.19 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 124.636 3.558 . . . . 0.0 113.248 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 19.7 ptt180 -31.06 -66.51 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.354 1.462 . . . . 0.0 113.508 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.0 t70 -160.86 128.48 4.32 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 169.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -74.65 9.17 1.92 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -173.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -138.05 -22.77 1.05 Allowed 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.9 0.773 . . . . 0.0 112.864 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -133.54 -12.31 2.7 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -174.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 43.15 39.72 2.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.082 1.353 . . . . 0.0 114.165 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -89.01 -23.36 22.63 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 m -82.26 40.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 111.991 -175.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -58.95 0.18 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.355 1.462 . . . . 0.0 113.365 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.09 -1.81 28.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.26 -0.9 . . . . 0.0 114.858 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -154.07 -176.32 5.8 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.301 1.551 . . . . 0.0 112.322 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.69 -178.65 7.0 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.632 0.773 . . . . 0.0 111.171 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -153.66 63.37 0.73 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.294 1.438 . . . . 0.0 109.06 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 17.1 t -69.42 150.04 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 169.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -145.5 104.17 3.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 119.838 1.199 . . . . 0.0 111.931 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -72.98 164.25 26.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -128.93 5.58 5.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -132.39 131.36 41.75 Favored 'General case' 0 C--N 1.339 0.128 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.11 -30.19 71.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.68 -43.34 66.18 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.763 0.71 . . . . 0.0 110.158 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -77.0 -24.76 52.18 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.75 39.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.342 0.257 . . . . 0.0 111.502 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.67 -32.01 71.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.431 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.78 -38.8 64.54 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.933 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.23 74.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 122.404 -0.185 . . . . 0.0 111.11 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -87.84 -29.08 21.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.06 -10.25 58.08 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.221 0.209 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.46 -7.55 4.69 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.8 mmt -119.65 -24.01 6.37 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.59 125.42 26.11 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 119.909 1.231 . . . . 0.0 109.746 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.78 1.62 84.29 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.508 -0.607 . . . . 0.0 112.532 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.24 1.05 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 117.717 0.758 . . . . 0.0 111.257 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.52 145.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 123.618 0.767 . . . . 0.0 109.04 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.95 -57.42 2.19 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 122.927 0.491 . . . . 0.0 110.83 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -131.54 -4.86 3.72 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -15.26 0.9 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -91.43 -158.15 0.55 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 117.572 0.686 . . . . 0.0 109.681 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -113.77 166.73 11.27 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.0 mt -131.72 155.49 47.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -140.95 139.62 34.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.024 0.44 . . . . 0.0 111.157 -175.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -152.11 124.67 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.231 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -161.92 166.49 26.1 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 117.745 0.248 . . . . 0.0 110.895 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.09 147.8 51.34 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.26 0.224 . . . . 0.0 110.588 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.61 176.64 7.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.253 0.221 . . . . 0.0 110.726 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -132.66 -7.59 3.21 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -134.37 174.43 10.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.447 0.699 . . . . 0.0 109.875 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.19 -44.69 2.33 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -175.1 153.26 1.55 Allowed Pre-proline 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.634 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -60.05 148.34 89.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 1 C-N-CA 125.495 4.13 . . . . 0.0 112.285 178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.97 -9.94 16.72 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 124.275 3.317 . . . . 0.0 112.254 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.61 158.98 40.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.229 0.612 . . . . 0.0 109.697 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.232 0.159 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.752 0.31 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 175.09 36.86 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -56.54 153.99 18.82 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.093 0.957 . . . . 0.0 112.451 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.8 157.8 5.22 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.749 3.633 . . . . 0.0 112.014 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.94 160.54 4.05 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.164 3.243 . . . . 0.0 112.124 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.75 167.29 26.97 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.008 2.472 . . . . 0.0 110.067 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 54.82 21.1 3.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.558 1.143 . . . . 0.0 112.362 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.6 -19.32 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.748 0.308 . . . . 0.0 111.439 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.97 1.61 8.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 0.0 111.238 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.89 22.01 3.49 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.04 0.828 . . . . 0.0 111.956 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mtm -137.9 165.22 27.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.202 0.601 . . . . 0.0 110.359 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 t -75.68 175.61 8.47 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.45 132.51 17.25 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.029 0.931 . . . . 0.0 108.699 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 10.7 tp -130.12 95.96 4.06 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.932 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -66.52 150.65 48.65 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.791 1.236 . . . . 0.0 111.349 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 95.1 t -135.47 138.21 48.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.55 1.14 . . . . 0.0 108.69 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.95 -178.83 7.51 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.551 0.74 . . . . 0.0 112.715 -173.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 80.82 13.6 0.75 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.386 1.874 . . . . 0.0 114.549 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -59.06 176.7 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.107 0.867 . . . . 0.0 112.35 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 p -82.24 172.06 13.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.288 0.566 . . . . 0.0 111.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -79.73 9.83 4.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.513 0.725 . . . . 0.0 110.699 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -126.02 -16.74 5.5 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.69 0.796 . . . . 0.0 112.046 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.1 m -78.27 164.7 24.65 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -137.22 159.92 67.8 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -65.59 -17.22 56.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.62 2.213 . . . . 0.0 111.944 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.01 -32.68 45.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -47.86 66.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.9 -29.39 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.49 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 tpt85 -63.33 -41.6 98.9 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -84.65 -38.74 19.45 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 122.049 -0.407 . . . . 0.0 110.819 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.3 -33.83 55.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 123.792 0.837 . . . . 0.0 111.407 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.1 m-85 -101.98 -11.08 19.21 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.085 0.402 . . . . 0.0 111.876 -176.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.51 -30.34 70.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.5 -20.7 61.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.51 -13.7 59.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.486 -0.293 . . . . 0.0 110.911 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.01 -62.73 0.47 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.941 169.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -152.27 93.68 1.84 Allowed 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 122.049 0.928 . . . . 0.0 112.389 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -78.31 63.56 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.56 -32.82 2.08 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.721 1.153 . . . . 0.0 111.982 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.03 171.17 16.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.391 0.595 . . . . 0.0 109.872 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.79 138.56 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.434 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -147.13 166.85 25.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 47' ' ' ARG . 23.0 mt -140.96 102.26 6.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.7 16.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.4 1 C-N-CA 126.634 4.89 . . . . 0.0 116.435 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 45' ' ' ILE . 56.2 ttp180 -48.61 131.5 17.61 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.96 128.73 28.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.058 0.456 . . . . 0.0 110.672 -174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -75.55 5.8 5.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.615 1.166 . . . . 0.0 113.162 -171.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -140.65 -16.54 0.9 Allowed 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.0 p -136.66 -5.05 1.99 Allowed 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.172 0.442 . . . . 0.0 111.886 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 46.45 24.99 0.34 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.421 1.488 . . . . 0.0 114.171 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.18 13.28 1.52 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -132.16 25.16 4.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.618 0.644 . . . . 0.0 111.48 -174.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -70.36 2.76 3.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.535 1.134 . . . . 0.0 112.882 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.09 -1.56 90.03 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-O 118.942 -0.921 . . . . 0.0 113.934 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -156.11 -176.05 5.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.937 1.368 . . . . 0.0 111.262 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.02 -176.41 4.99 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.201 0.601 . . . . 0.0 112.02 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -147.3 59.33 1.16 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.319 1.448 . . . . 0.0 108.941 -177.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 12.7 t -68.17 152.27 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 14.0 ttp-105 -143.89 141.36 30.25 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -108.31 165.63 11.36 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.876 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -135.27 13.13 3.54 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.478 0.711 . . . . 0.0 112.518 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.52 135.88 33.92 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.16 -36.24 79.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -70.34 -41.61 72.97 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.652 0.66 . . . . 0.0 110.188 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -77.44 -27.66 52.27 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -36.55 50.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.14 -32.98 71.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.011 0.368 . . . . 0.0 110.528 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -73.02 -38.78 66.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.433 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.87 71.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.789 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -91.79 -26.44 18.55 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.989 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.08 -7.23 47.75 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.326 0.25 . . . . 0.0 111.086 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.27 -7.35 2.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 mmt -120.45 -22.5 6.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.947 0.794 . . . . 0.0 112.829 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.29 126.52 28.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.003 1.274 . . . . 0.0 109.888 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.82 3.25 83.71 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.799 -0.445 . . . . 0.0 112.301 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -175.36 0.92 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.714 0.757 . . . . 0.0 111.031 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.74 146.24 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.409 0.684 . . . . 0.0 109.176 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -108.15 -52.7 2.73 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.677 0.391 . . . . 0.0 109.958 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.73 -3.51 1.28 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.95 -16.21 0.61 Allowed Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.541 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -93.64 -160.88 0.8 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.778 0.789 . . . . 0.0 109.668 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -109.94 168.3 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.93 155.47 50.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -141.65 148.72 39.61 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.305 0.574 . . . . 0.0 110.805 -173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -164.28 131.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.495 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -165.36 169.71 15.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.388 0.675 . . . . 0.0 109.836 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.6 mmt -64.11 151.44 43.17 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.776 0.322 . . . . 0.0 110.664 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.84 175.19 5.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.842 0.457 . . . . 0.0 111.573 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -125.85 -8.14 6.68 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.235 0.614 . . . . 0.0 112.195 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -150.18 176.68 10.62 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-N 118.318 0.508 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.46 20.45 20.79 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 117.75 147.38 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.227 0 C-N-CA 131.307 3.843 . . . . 0.0 109.387 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 32.5 Cg_endo -60.21 143.28 99.53 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 124.528 3.485 . . . . 0.0 110.734 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 62.0 Cg_exo -53.44 -26.78 37.16 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.28 3.32 . . . . 0.0 113.81 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -155.88 170.35 22.3 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 C--N 1.331 -0.227 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -172.685 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.586 0.707 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.68 165.41 38.64 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -58.37 148.38 64.31 Favored Pre-proline 0 N--CA 1.452 -0.352 0 CA-C-N 117.356 0.578 . . . . 0.0 111.005 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.62 156.86 62.56 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.615 2.877 . . . . 0.0 109.45 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.87 153.76 58.51 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.774 2.316 . . . . 0.0 110.779 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.07 12.95 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.498 3.465 . . . . 0.0 112.079 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -139.26 16.88 2.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.767 0.427 . . . . 0.0 110.944 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.36 -21.28 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 122.981 0.512 . . . . 0.0 111.362 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.53 2.28 10.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.565 0.746 . . . . 0.0 111.296 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.58 25.53 2.71 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.129 0.871 . . . . 0.0 111.081 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.2 mtp -134.0 160.64 37.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.783 0.833 . . . . 0.0 109.386 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -69.41 164.62 22.6 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.9 p -152.85 138.37 17.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.084 0.554 . . . . 0.0 109.522 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 87' ' ' VAL . 9.0 tp -142.76 93.71 2.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.351 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.8 tttp -61.29 150.65 34.18 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 123.934 0.894 . . . . 0.0 111.395 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 61.2 t -135.55 133.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.705 1.202 . . . . 0.0 107.806 174.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -154.78 -173.75 4.7 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t30 72.9 1.65 4.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.158 2.183 . . . . 0.0 114.805 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.835 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -56.37 170.7 0.34 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.434 0.694 . . . . 0.0 112.788 175.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -74.09 169.32 17.76 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.734 0.778 . . . . 0.0 112.541 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -77.42 10.13 2.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.751 0.82 . . . . 0.0 111.044 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -125.76 -8.01 6.74 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.027 0.931 . . . . 0.0 111.515 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -65.17 166.85 9.01 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 75.3 m -138.22 163.1 49.9 Favored Pre-proline 0 N--CA 1.456 -0.16 0 O-C-N 121.882 -0.511 . . . . 0.0 111.324 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.5 Cg_endo -69.82 -27.56 26.06 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.434 2.089 . . . . 0.0 111.413 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.42 -29.97 59.9 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.523 0.147 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -72.09 -56.59 5.35 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' A' ' 33' ' ' VAL . 20.6 mt -58.66 -29.0 66.24 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.593 -173.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HD2' HG11 ' A' ' 40' ' ' VAL . 13.1 tpt180 -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.688 174.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm105 -89.83 -41.81 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.369 0.531 . . . . 0.0 112.336 -172.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.3 m -64.95 -22.26 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.815 0.846 . . . . 0.0 111.288 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 47.5 m-85 -104.72 -19.06 14.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.51 -23.79 67.39 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.699 0.681 . . . . 0.0 110.43 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.34 -21.43 62.05 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.818 0.447 . . . . 0.0 111.92 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.68 -14.01 61.08 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 122.477 0.311 . . . . 0.0 110.644 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.92 -74.79 0.18 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.72 119.16 5.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG11 ' HD2' ' A' ' 31' ' ' ARG . 8.7 p -56.59 -19.73 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.178 0.591 . . . . 0.0 111.254 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 -58.4 2.47 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 125.016 1.293 . . . . 0.0 111.879 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -162.34 164.55 27.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.523 1.129 . . . . 0.0 108.298 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.6 p -150.78 134.37 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -146.49 156.86 43.58 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.37 94.65 5.63 Favored Pre-proline 0 N--CA 1.456 -0.147 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -62.25 -25.74 76.96 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.73 2.953 . . . . 0.0 114.665 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 27.5 ptt180 20.93 -97.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.791 1.636 . . . . 0.0 111.635 -171.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.2 t70 -153.79 129.3 9.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -75.32 10.08 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -171.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -134.47 -17.08 2.04 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.882 0.765 . . . . 0.0 112.361 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 p -133.99 -12.56 2.53 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 122.767 0.427 . . . . 0.0 111.67 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 36.88 44.23 0.34 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.143 1.777 . . . . 0.0 113.825 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.02 27.97 5.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.837 0.455 . . . . 0.0 111.669 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' GLY . 51.0 m -128.47 35.42 4.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.439 0.695 . . . . 0.0 110.652 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -66.68 15.87 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.901 1.28 . . . . 0.0 112.125 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -67.83 -0.87 15.19 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.606 -0.684 . . . . 0.0 113.14 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -155.78 177.58 11.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.01 0.905 . . . . 0.0 109.964 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.62 -175.32 4.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.675 0.75 . . . . 0.0 110.998 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.24 62.74 1.03 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.474 1.51 . . . . 0.0 107.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -68.34 144.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 106.014 -1.846 . . . . 0.0 106.014 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -143.71 105.06 4.27 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 120.323 1.419 . . . . 0.0 112.527 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.61 167.45 21.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -138.9 12.0 2.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.86 137.3 43.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.06 -34.9 79.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -67.23 -40.71 86.36 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.704 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.08 -16.85 28.84 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.19 -37.53 57.72 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.404 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.07 -34.2 68.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.116 -0.365 . . . . 0.0 110.449 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.27 -40.81 70.73 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.082 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.71 85.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.264 -0.273 . . . . 0.0 110.774 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -81.1 -29.32 34.92 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.349 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.54 -10.44 58.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.218 -0.301 . . . . 0.0 111.404 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.8 -6.29 3.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.413 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.4 mmt -122.63 -25.12 4.76 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.37 123.3 19.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.772 1.169 . . . . 0.0 109.461 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.8 1.95 90.62 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.7 -173.02 0.7 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.378 0.589 . . . . 0.0 111.3 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -134.17 148.46 30.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.67 -52.89 2.75 Favored 'General case' 0 C--N 1.339 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -139.96 -4.32 1.37 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.4 -13.81 0.71 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 122.088 -0.383 . . . . 0.0 112.253 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -90.95 -156.92 0.46 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.043 0.537 . . . . 0.0 109.806 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -115.36 166.65 11.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.588 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.03 160.91 36.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mmt-85 -143.09 139.81 30.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.294 0.237 . . . . 0.0 110.391 -173.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 18' ' ' VAL . 60.8 t -150.52 121.25 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.39 167.51 25.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.738 0.415 . . . . 0.0 110.089 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.4 149.58 37.96 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.536 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 177.48 7.56 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.845 0.458 . . . . 0.0 112.143 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -135.88 171.88 13.83 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.098 0.959 . . . . 0.0 110.981 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 51.76 -165.18 0.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.055 1.342 . . . . 0.0 113.373 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.09 12.78 6.06 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 119.005 -0.886 . . . . 0.0 111.719 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 119.38 152.5 0.0 OUTLIER Pre-proline 0 C--N 1.346 0.414 0 C-N-CA 130.402 3.481 . . . . 0.0 110.024 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.42 109.57 0.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 1 C-N-CA 125.34 4.027 . . . . 0.0 114.448 -176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.44 -8.74 10.48 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.923 3.082 . . . . 0.0 112.74 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -143.36 44.4 1.53 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.255 0.622 . . . . 0.0 111.664 -174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.233 0.212 0 C-N-CA 122.671 0.388 . . . . 0.0 110.433 177.156 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.18 165.92 34.46 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -62.72 155.26 71.05 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 123.418 0.687 . . . . 0.0 111.058 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.46 154.93 7.86 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 124.353 3.369 . . . . 0.0 111.27 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.08 161.74 43.82 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.113 2.542 . . . . 0.0 110.492 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.25 169.1 23.07 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.598 2.865 . . . . 0.0 110.572 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 54.38 23.1 4.18 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.142 0.977 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.77 -20.26 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.72 0.295 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.64 3.31 6.5 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.649 0.78 . . . . 0.0 111.354 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.68 25.51 2.57 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.818 0.723 . . . . 0.0 111.657 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.6 mtm -138.41 172.27 13.15 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 117.457 0.629 . . . . 0.0 110.418 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -62.16 165.48 5.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.369 0.668 . . . . 0.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 p -150.91 52.3 0.86 Allowed 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 122.928 0.491 . . . . 0.0 110.592 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.74 149.01 51.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 10.4 pttp -128.67 166.23 19.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 118.654 0.661 . . . . 0.0 112.669 169.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 69.3 t -140.95 137.22 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.471 1.109 . . . . 0.0 109.373 -175.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -154.41 178.0 10.53 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.538 0.735 . . . . 0.0 112.57 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 t30 84.57 28.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.236 1.814 . . . . 0.0 113.967 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 177.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 112.694 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -95.87 169.1 10.23 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 122.889 0.476 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -69.93 6.72 1.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.211 0.604 . . . . 0.0 111.823 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -128.06 -6.66 5.48 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.992 0.917 . . . . 0.0 111.586 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.3 m -71.81 163.95 26.89 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -143.17 160.82 50.91 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 123.58 0.752 . . . . 0.0 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.67 -17.68 33.26 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 121.669 1.579 . . . . 0.0 110.852 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.38 -43.3 64.18 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 122.151 -0.343 . . . . 0.0 110.329 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -65.37 -52.04 56.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.288 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HA ' HG22 ' A' ' 33' ' ' VAL . 40.6 mt -57.88 -28.06 63.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.277 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.13 -48.9 74.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.715 0.689 . . . . 0.0 109.838 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.21 -42.87 20.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.4 m -66.64 -23.48 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.587 0.755 . . . . 0.0 111.265 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.8 -16.76 19.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.423 0.556 . . . . 0.0 112.335 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.68 -22.71 62.34 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.227 0.467 . . . . 0.0 111.786 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -75.21 -22.04 58.23 Favored 'General case' 0 C--N 1.337 0.055 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -83.54 -17.38 42.02 Favored 'General case' 0 CA--C 1.523 -0.09 0 C-N-CA 122.535 0.334 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.27 -160.01 27.79 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -60.7 90.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.523 1.529 . . . . 0.0 112.363 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.8 p -72.84 54.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.058 1.343 . . . . 0.0 107.479 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.54 -12.78 6.74 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 125.034 1.302 . . . . 0.0 113.466 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.63 146.68 27.42 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.817 0.809 . . . . 0.0 109.657 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.1 p -155.34 117.85 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -148.46 168.0 23.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.723 -173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.73 98.37 6.41 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -55.18 13.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 1 C-N-CA 126.177 4.585 . . . . 0.0 117.072 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -58.79 158.92 7.41 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.3 0.955 . . . . 0.0 109.957 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.41 126.4 15.04 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.416 0.626 . . . . 0.0 111.15 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 ttt-85 -67.64 -1.23 4.84 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.745 1.218 . . . . 0.0 113.0 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.85 -11.85 0.87 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -137.38 -1.83 2.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 118.117 0.417 . . . . 0.0 111.291 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.94 53.92 0.18 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.153 1.781 . . . . 0.0 113.579 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -115.06 16.13 17.09 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -128.79 28.17 5.39 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.271 0.629 . . . . 0.0 110.321 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -65.84 8.83 0.16 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.376 1.47 . . . . 0.0 112.934 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.03 -2.49 31.51 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.884 0.754 . . . . 0.0 113.365 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -155.09 -175.21 5.32 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.413 1.107 . . . . 0.0 111.238 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.74 -178.42 5.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.264 0.625 . . . . 0.0 110.521 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -149.92 68.99 1.01 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.315 0.646 . . . . 0.0 110.546 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.0 t -77.38 158.35 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 172.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.1 ttp-105 -151.94 156.37 39.93 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.198 0.908 . . . . 0.0 113.055 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -125.05 161.31 27.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.656 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -127.01 15.87 7.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -141.99 137.11 30.95 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.656 -0.652 . . . . 0.0 109.304 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.35 -30.14 71.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.27 -41.44 63.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.769 0.713 . . . . 0.0 109.718 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.96 -30.4 63.82 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.53 48.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.48 -33.19 70.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.595 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -72.82 -38.44 67.15 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.303 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.13 71.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.412 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -90.08 -28.38 19.05 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.296 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.0 -9.92 49.47 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.824 0.283 . . . . 0.0 111.352 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.72 -6.74 3.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.8 mmt -119.23 -26.29 5.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.661 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.39 124.98 25.5 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.92 1.236 . . . . 0.0 109.864 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.26 0.23 89.53 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.146 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -175.88 1.64 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.702 0.751 . . . . 0.0 110.945 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.4 144.19 35.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.76 -53.14 2.68 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.713 0.405 . . . . 0.0 110.333 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -137.64 -4.85 1.79 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.28 -10.07 0.84 Allowed Glycine 0 CA--C 1.528 0.86 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.939 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -103.01 -162.82 0.94 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.435 0.617 . . . . 0.0 109.507 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -106.07 168.45 9.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.67 151.29 51.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.8 mmt180 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -149.94 119.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.839 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -162.62 164.61 26.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.44 145.11 56.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.473 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.3 -178.13 4.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.149 0.58 . . . . 0.0 111.438 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -137.47 -9.11 1.68 Allowed 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 123.297 0.639 . . . . 0.0 112.131 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -134.07 179.17 6.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.522 0.729 . . . . 0.0 109.643 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.63 -31.58 1.22 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -156.79 142.4 12.68 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 125.153 1.381 . . . . 0.0 108.617 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.78 142.91 7.11 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 125.087 3.858 . . . . 0.0 112.177 172.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.46 -25.69 10.93 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.942 2.428 . . . . 0.0 110.271 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.99 128.84 2.03 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.242 1.017 . . . . 0.0 108.74 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 CA--C 1.528 0.107 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.239 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.623 0.249 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 169.22 41.56 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -55.58 145.93 47.33 Favored Pre-proline 0 N--CA 1.451 -0.39 0 C-N-CA 123.764 0.825 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.14 163.32 39.59 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 124.911 3.74 . . . . 0.0 111.915 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -52.05 154.19 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 124.083 3.189 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.47 12.78 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 124.401 3.4 . . . . 0.0 112.386 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 11' ' ' GLU . 24.3 t0 -137.71 20.03 2.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.187 0.449 . . . . 0.0 111.72 -174.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.15 9.44 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 121.809 -0.557 . . . . 0.0 111.947 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 9' ' ' ASP . 38.2 mt-10 -121.02 10.28 10.74 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.875 0.87 . . . . 0.0 109.839 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 12.79 5.19 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.737 1.16 . . . . 0.0 110.855 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.1 mtm -142.46 -179.84 6.52 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.805 1.242 . . . . 0.0 108.699 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -58.3 162.36 3.67 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.6 p -149.75 46.88 0.94 Allowed 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.196 -0.315 . . . . 0.0 111.723 -172.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -65.23 151.7 45.52 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 13.8 pttp -132.98 167.72 19.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 118.523 0.602 . . . . 0.0 111.694 168.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.3 t -138.95 141.97 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.921 0.888 . . . . 0.0 109.658 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -152.66 -175.33 5.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.035 0.934 . . . . 0.0 112.118 -174.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 66.42 35.94 5.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.139 1.375 . . . . 0.0 114.11 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 179.91 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.21 0.604 . . . . 0.0 112.213 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -98.06 164.55 12.3 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.3 0.64 . . . . 0.0 111.166 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -68.5 5.32 1.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.525 0.33 . . . . 0.0 111.855 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -123.09 -8.12 8.27 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.248 1.019 . . . . 0.0 111.089 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 26' ' ' SER . 91.5 m -69.33 165.19 21.2 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' THR . 87.7 p -146.58 164.32 24.78 Favored Pre-proline 0 C--N 1.333 -0.129 0 C-N-CA 123.718 0.807 . . . . 0.0 109.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.86 -19.73 35.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 121.514 1.476 . . . . 0.0 110.497 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.19 -35.58 36.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.813 0.279 . . . . 0.0 110.381 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -66.29 -54.12 28.6 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 176.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HA ' HG22 ' A' ' 33' ' ' VAL . 34.1 mt -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.19 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.87 -46.88 85.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.491 0.587 . . . . 0.0 110.138 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -85.02 -43.42 13.97 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.416 0.553 . . . . 0.0 112.461 -174.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.2 m -65.47 -21.34 29.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 123.69 0.796 . . . . 0.0 111.658 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -102.8 -17.41 15.59 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.393 0.542 . . . . 0.0 111.893 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.41 -24.14 67.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.803 -0.56 . . . . 0.0 110.623 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.99 -21.36 65.96 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -78.68 -9.54 59.44 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 123.272 0.629 . . . . 0.0 110.732 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.15 -78.69 0.19 Allowed Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -166.41 120.76 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.579 1.152 . . . . 0.0 108.431 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.1 130.89 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -79.23 -21.54 67.27 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -167.65 169.38 11.91 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.908 0.883 . . . . 0.0 109.673 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.43 128.05 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.229 0.612 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.41 166.77 29.1 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -140.92 96.21 7.43 Favored Pre-proline 0 C--O 1.232 0.141 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -60.07 19.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.395 1 C-N-CA 125.841 4.361 . . . . 0.0 116.426 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -55.39 154.72 5.88 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.265 0.938 . . . . 0.0 109.983 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.11 124.62 7.93 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.661 0.384 . . . . 0.0 111.386 -174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -72.86 8.6 1.45 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -173.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -135.75 -16.31 1.76 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.389 0.541 . . . . 0.0 112.188 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -141.06 0.45 1.55 Allowed 'General case' 0 C--O 1.231 0.109 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? 35.84 36.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.136 1.775 . . . . 0.0 113.933 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.71 11.87 16.43 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' GLY . 44.5 m -131.05 29.53 4.68 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 122.818 0.447 . . . . 0.0 111.551 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.96 5.27 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.662 1.185 . . . . 0.0 111.567 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.65 -4.74 20.45 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.155 0.883 . . . . 0.0 113.741 -177.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -155.09 -176.38 5.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.201 1.001 . . . . 0.0 110.536 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.39 179.7 7.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.937 0.495 . . . . 0.0 110.718 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -146.22 73.45 1.33 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.626 0.771 . . . . 0.0 109.341 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -75.78 165.75 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 171.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -153.98 160.3 42.01 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.329 0.968 . . . . 0.0 112.077 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.459 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 31.1 m-85 -126.73 157.82 38.11 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.425 1.09 . . . . 0.0 110.014 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -132.91 12.85 4.34 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.316 0.646 . . . . 0.0 111.456 -173.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -131.38 124.6 30.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.0 -27.42 68.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -168.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -75.45 -39.03 59.31 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.283 0.947 . . . . 0.0 110.701 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -75.56 -27.1 58.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -40.27 62.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.427 0.291 . . . . 0.0 111.569 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -70.41 -31.27 68.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.944 -0.472 . . . . 0.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.41 -38.35 59.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.151 0.432 . . . . 0.0 110.749 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.9 72.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.113 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -88.91 -27.8 20.73 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.017 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.51 -8.95 55.19 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.623 0.192 . . . . 0.0 111.19 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.59 -7.62 3.66 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 mmt -115.91 -24.65 8.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.415 174.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.58 125.88 26.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.953 1.251 . . . . 0.0 110.169 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.53 90.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.355 -0.692 . . . . 0.0 112.368 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -179.82 1.76 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.151 0.975 . . . . 0.0 110.715 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.1 t -136.46 142.52 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 82' ' ' GLY . 52.6 tp -151.68 142.78 23.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 170.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.54 -3.99 0.07 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.338 1.455 . . . . 0.0 113.121 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.89 -2.06 31.8 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -98.26 -163.03 1.0 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.242 0.617 . . . . 0.0 109.75 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -107.03 167.47 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.0 mt -134.76 146.26 49.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 32.5 mmt180 -140.15 147.3 39.96 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.346 0.593 . . . . 0.0 111.15 -171.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.7 131.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.332 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.94 167.93 14.35 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.874 0.47 . . . . 0.0 110.085 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.25 144.75 56.42 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.956 -0.465 . . . . 0.0 110.748 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.91 177.82 4.06 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.775 0.43 . . . . 0.0 111.25 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -139.19 -9.86 1.29 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -134.26 163.52 29.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.937 0.495 . . . . 0.0 110.496 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.43 -43.92 8.26 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' HB2' ' HD2' ' A' ' 95' ' ' PRO . 3.8 ptp180 -172.67 161.17 3.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.867 1.667 . . . . 0.0 107.224 170.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 94' ' ' ARG . 37.2 Cg_endo -58.0 139.1 89.21 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 125.302 4.001 . . . . 0.0 111.58 177.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -83.46 -17.17 6.5 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.652 2.901 . . . . 0.0 113.928 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -155.52 18.61 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.437 1.017 . . . . 0.0 113.369 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.231 0.105 0 O-C-N 121.644 -0.66 . . . . 0.0 112.621 -178.256 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.91 167.35 38.59 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.11 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.53 151.08 62.73 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.772 0.829 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.37 155.75 12.07 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.875 3.717 . . . . 0.0 112.705 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.25 158.75 53.83 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.307 2.671 . . . . 0.0 110.072 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.58 21.7 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 124.751 3.634 . . . . 0.0 113.746 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -137.63 9.9 2.89 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.425 0.557 . . . . 0.0 112.491 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.86 -13.84 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 O-C-N 122.084 -0.385 . . . . 0.0 111.356 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -78.01 4.58 11.84 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.437 0.695 . . . . 0.0 111.548 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.38 25.12 2.63 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.77 -0.461 . . . . 0.0 112.048 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.6 mtm -140.43 172.73 12.32 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.554 0.677 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 15' ' ' SER . 34.9 m -65.86 169.35 6.7 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.589 0.756 . . . . 0.0 109.305 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' HG22 ' A' ' 14' ' ' THR . 37.0 t -153.17 125.24 7.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD21 ' CG2' ' A' ' 87' ' ' VAL . 8.8 tp -134.46 98.31 4.05 Favored 'General case' 0 N--CA 1.458 -0.074 0 O-C-N 123.083 0.239 . . . . 0.0 111.592 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.2 tttp -63.89 148.85 48.43 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.878 0.871 . . . . 0.0 111.266 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 78.0 t -133.63 133.6 57.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.85 -170.85 3.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.999 0.812 . . . . 0.0 111.971 -170.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' ND2' HH21 ' A' ' 83' ' ' ARG . 2.4 t30 58.13 87.71 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.294 1.437 . . . . 0.0 112.258 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.7 pp -139.75 173.12 11.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.128 -0.357 . . . . 0.0 111.728 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -77.37 170.08 17.18 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.339 0.59 . . . . 0.0 111.708 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -75.41 8.55 2.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.25 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.11 -19.83 10.7 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.158 0.435 . . . . 0.0 111.156 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -64.94 162.05 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.453 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 80.1 p -142.81 164.37 32.75 Favored Pre-proline 0 N--CA 1.455 -0.189 0 C-N-CA 122.902 0.481 . . . . 0.0 110.535 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 63.4 Cg_endo -71.03 -18.63 30.92 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.712 1.608 . . . . 0.0 110.93 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.18 -34.45 56.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.94 -0.475 . . . . 0.0 110.096 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.19 -51.4 53.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.8 mt -59.44 -29.75 68.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.566 -173.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.93 -46.15 89.12 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -85.44 -43.72 13.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 118.456 0.571 . . . . 0.0 112.488 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.0 m -64.23 -23.73 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.882 0.873 . . . . 0.0 111.581 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.7 m-85 -102.04 -17.15 16.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.293 0.497 . . . . 0.0 112.055 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.86 -20.6 63.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.083 0.856 . . . . 0.0 112.088 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.29 -18.81 61.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.797 -0.565 . . . . 0.0 112.12 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.89 -14.53 41.69 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.85 -175.51 23.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.721 -1.751 . . . . 0.0 108.721 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -63.85 118.98 9.15 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.5 -16.94 8.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.291 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.88 -51.49 2.36 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.454 1.502 . . . . 0.0 112.351 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.93 161.28 31.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.487 1.115 . . . . 0.0 108.545 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -147.47 120.58 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -144.3 165.01 29.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.8 mt -140.93 94.32 8.0 Favored Pre-proline 0 CA--C 1.529 0.164 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.27 15.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.528 1 C-N-CA 126.182 4.588 . . . . 0.0 115.598 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 29.6 ptt180 -43.84 -62.35 1.14 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.93 0.892 . . . . 0.0 112.863 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 22.0 t70 -162.6 177.26 9.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.381 1.073 . . . . 0.0 108.301 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -131.11 8.95 4.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.583 0.629 . . . . 0.0 112.111 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -130.53 -21.09 2.86 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.023 0.529 . . . . 0.0 111.307 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -131.98 -23.81 2.2 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.522 0.329 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 46.58 63.05 2.04 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.687 1.195 . . . . 0.0 112.673 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -127.34 -19.33 4.28 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -76.71 39.27 0.21 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.75 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -66.73 16.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.419 1.488 . . . . 0.0 114.209 -173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.29 1.14 20.78 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 118.614 0.643 . . . . 0.0 113.129 -177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -155.45 -174.21 4.88 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.512 1.156 . . . . 0.0 110.653 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.46 -179.27 7.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 111.723 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -153.07 64.19 0.77 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.142 1.377 . . . . 0.0 109.39 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 18.0 t -70.35 150.91 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -145.33 103.91 3.88 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.742 1.155 . . . . 0.0 112.118 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.08 162.35 29.09 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -128.28 2.85 5.73 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.339 0.656 . . . . 0.0 112.005 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -123.19 130.55 52.91 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -65.33 -22.12 66.78 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -171.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -83.49 -47.07 11.75 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.789 0.804 . . . . 0.0 109.091 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.46 -29.62 69.15 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.55 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.02 -43.23 14.14 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.69 -35.06 78.11 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.656 0.662 . . . . 0.0 110.48 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -68.62 -41.19 79.86 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.77 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.16 73.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.713 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -87.97 -27.61 21.98 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.771 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.6 -11.61 60.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.133 0.173 . . . . 0.0 111.04 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.92 -6.77 4.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.412 ' HB2' HG11 ' A' ' 87' ' ' VAL . 5.5 mmt -119.48 -22.48 6.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.092 0.86 . . . . 0.0 113.046 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -66.44 127.06 30.83 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 120.298 1.408 . . . . 0.0 110.408 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.75 3.45 83.76 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.257 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -177.0 1.22 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 117.54 0.67 . . . . 0.0 110.946 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.86 151.37 25.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 109.344 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.1 tp -119.03 -56.19 2.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.982 0.513 . . . . 0.0 111.106 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -131.0 -0.85 4.14 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.76 -13.38 2.42 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 112.171 -0.371 . . . . 0.0 112.171 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.467 HH21 ' ND2' ' A' ' 20' ' ' ASN . 10.9 ptm85 -85.17 -152.11 0.15 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 123.743 0.817 . . . . 0.0 110.335 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -122.86 156.34 34.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.065 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.48 149.71 46.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 30.7 mmt180 -142.81 147.64 35.8 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.719 -172.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -164.62 129.69 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.235 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -165.21 168.66 16.85 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.87 0.468 . . . . 0.0 109.986 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.3 149.75 41.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.079 0.466 . . . . 0.0 110.746 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.96 177.93 5.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.954 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.52 -10.33 6.84 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -151.56 178.97 8.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.086 0.955 . . . . 0.0 109.572 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.62 -45.89 1.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -159.67 153.28 19.05 Favored Pre-proline 0 N--CA 1.451 -0.404 0 C-N-CA 126.092 1.757 . . . . 0.0 107.755 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -51.67 154.1 9.91 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 125.195 3.93 . . . . 0.0 112.047 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -74.43 -23.12 15.44 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.077 2.518 . . . . 0.0 110.49 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -153.02 159.42 42.88 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.427 1.491 . . . . 0.0 107.61 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 117.994 0.361 . . . . 0.0 111.768 -174.717 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 22.2 m-85 . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 121.17 0.51 . . . . 0.0 110.119 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.25 170.03 54.51 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-O 121.564 0.536 . . . . 0.0 112.026 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 142.83 19.92 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.601 0.76 . . . . 0.0 111.05 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.83 163.27 39.4 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 124.59 3.527 . . . . 0.0 110.427 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.55 160.09 47.43 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.17 2.58 . . . . 0.0 110.647 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.24 13.81 0.82 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.918 3.745 . . . . 0.0 113.085 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -141.02 13.92 2.25 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.073 0.397 . . . . 0.0 111.834 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.4 -22.54 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.874 0.47 . . . . 0.0 111.324 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -8.18 55.52 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.501 0.72 . . . . 0.0 112.397 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.09 23.51 9.23 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.218 0.913 . . . . 0.0 112.012 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.5 mtm -138.26 170.84 15.32 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-N 117.673 0.736 . . . . 0.0 110.678 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.4 m -60.24 156.89 14.49 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -152.56 140.12 19.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.169 0.588 . . . . 0.0 109.536 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -143.8 91.68 2.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 119.452 -0.308 . . . . 0.0 111.328 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 49.8 tttp -60.64 151.97 27.64 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.151 0.981 . . . . 0.0 111.313 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 62.6 t -136.97 133.01 47.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.83 1.252 . . . . 0.0 107.859 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.48 -176.5 6.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.814 0.846 . . . . 0.0 112.462 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 84.37 0.81 0.9 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.041 2.137 . . . . 0.0 113.995 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.932 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.47 172.09 0.53 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.303 1.041 . . . . 0.0 113.296 178.265 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -75.88 171.94 13.56 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 121.409 0.623 . . . . 0.0 112.272 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -78.19 -4.53 48.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.89 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.92 -22.25 18.72 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.124 0.42 . . . . 0.0 110.22 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -61.66 164.18 6.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.724 0.81 . . . . 0.0 110.989 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 62.3 p -144.28 168.63 11.96 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 124.046 0.939 . . . . 0.0 108.856 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 87.8 Cg_endo -73.66 -21.08 19.54 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 121.417 1.411 . . . . 0.0 111.079 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.21 -31.89 43.86 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 122.305 -0.247 . . . . 0.0 110.754 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -48.67 60.69 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.63 -30.43 71.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.683 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -61.21 -39.57 90.71 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -88.1 -38.5 15.34 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.308 0.643 . . . . 0.0 111.358 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.57 -39.02 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 C-N-CA 124.126 0.97 . . . . 0.0 111.158 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 44.2 m-85 -97.49 -13.53 21.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.53 -28.5 65.51 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.82 -18.52 61.46 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.774 -0.579 . . . . 0.0 112.241 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -86.29 -15.19 41.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.866 0.466 . . . . 0.0 111.127 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.74 -171.61 24.75 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 108.906 -1.677 . . . . 0.0 108.906 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -65.46 118.36 9.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.57 -18.8 10.05 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 -52.5 2.66 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 125.044 1.306 . . . . 0.0 112.209 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -161.49 162.71 30.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.954 0.902 . . . . 0.0 108.651 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -152.56 128.5 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -145.6 159.24 43.43 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.61 91.12 6.86 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -21.21 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.852 3.034 . . . . 0.0 114.082 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 29.5 -110.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 125.662 1.585 . . . . 0.0 109.729 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.97 122.49 7.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -62.77 -0.63 0.68 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.103 1.761 . . . . 0.0 113.496 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.09 -15.81 0.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.265 0.939 . . . . 0.0 113.366 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -133.65 -6.01 2.86 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.272 0.487 . . . . 0.0 111.884 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 30.1 59.85 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.472 1.909 . . . . 0.0 114.011 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -132.88 26.28 4.3 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 m -130.93 36.15 3.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.285 0.634 . . . . 0.0 111.444 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.39 -2.86 0.79 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 112.125 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.92 4.31 5.78 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.243 0.925 . . . . 0.0 114.442 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -157.8 176.72 12.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.154 1.477 . . . . 0.0 111.368 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.05 -174.75 4.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.956 0.902 . . . . 0.0 110.431 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.14 64.46 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.834 1.254 . . . . 0.0 108.103 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.8 t -74.15 139.75 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 171.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -141.05 105.8 4.92 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.194 0.906 . . . . 0.0 111.828 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -74.47 163.84 27.29 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.43 10.12 4.79 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.255 0.622 . . . . 0.0 112.084 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.06 129.98 42.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.14 -32.85 74.34 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.32 -38.55 60.2 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.641 1.11 . . . . 0.0 110.186 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.15 -29.62 66.58 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.14 -43.18 19.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.68 -30.51 70.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.74 -0.6 . . . . 0.0 111.203 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.7 -37.92 59.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.495 0.589 . . . . 0.0 110.866 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.77 73.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.26 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -87.72 -28.66 21.62 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.885 0.766 . . . . 0.0 110.788 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.71 -9.88 56.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.285 -0.259 . . . . 0.0 111.327 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.23 -7.58 3.81 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.457 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -118.68 -26.22 6.18 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.793 175.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -66.28 117.91 9.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 120.22 1.373 . . . . 0.0 109.878 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.77 2.48 90.55 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.791 -0.449 . . . . 0.0 112.418 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -176.45 1.1 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.871 0.836 . . . . 0.0 111.119 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.86 115.0 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 C-N-CA 123.585 0.754 . . . . 0.0 109.437 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.8 pt? -92.38 -19.06 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -158.89 -16.36 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.25 -6.77 0.6 Allowed Glycine 0 CA--C 1.528 0.893 0 CA-C-N 118.394 0.543 . . . . 0.0 112.049 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -111.84 -156.89 0.6 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.418 0.687 . . . . 0.0 109.261 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.34 160.84 22.23 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.601 0.36 . . . . 0.0 110.464 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -120.28 161.19 21.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 26.4 mmt180 -139.31 136.48 34.9 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 75' ' ' MET . 59.0 t -151.24 119.24 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.62 166.7 26.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.06 146.87 52.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.291 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.16 177.56 7.15 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.408 0.283 . . . . 0.0 111.748 -175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -141.74 -176.6 4.82 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.452 0.701 . . . . 0.0 110.779 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 53.52 -166.0 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.955 0.902 . . . . 0.0 111.812 -175.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.36 16.3 3.86 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.192 -0.782 . . . . 0.0 111.408 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 119.61 145.32 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.282 0 C-N-CA 130.82 3.648 . . . . 0.0 108.639 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.21 126.68 16.12 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.497 3.464 . . . . 0.0 110.715 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.44 -9.96 8.99 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.891 3.061 . . . . 0.0 113.608 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -147.55 18.79 1.18 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--N 1.332 -0.179 0 O-C-N 122.152 -0.342 . . . . 0.0 111.449 178.079 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.41 0.624 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.49 166.1 37.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -55.89 147.37 43.52 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.082 0.553 . . . . 0.0 111.611 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.82 164.23 36.17 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 124.367 3.378 . . . . 0.0 109.873 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.66 156.93 60.02 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.329 2.02 . . . . 0.0 110.317 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.68 13.94 2.45 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.219 3.28 . . . . 0.0 112.49 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -138.45 28.96 2.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.379 0.536 . . . . 0.0 111.608 -173.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.14 -26.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.212 -0.305 . . . . 0.0 111.053 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.6 0.19 13.44 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.348 0.659 . . . . 0.0 111.962 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.52 2.63 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.485 -0.62 . . . . 0.0 112.497 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -142.07 176.01 9.29 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 117.978 0.889 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 t -70.65 174.96 5.28 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.708 0.403 . . . . 0.0 110.411 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -149.17 49.82 0.97 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.207 1.003 . . . . 0.0 109.541 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.7 tm? -65.01 98.87 0.31 Allowed 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.028 0.931 . . . . 0.0 110.334 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -90.93 172.34 8.66 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 118.549 0.613 . . . . 0.0 112.423 -175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 74.3 t -148.12 138.83 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.676 1.19 . . . . 0.0 110.525 -172.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.7 174.87 13.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.03 0.932 . . . . 0.0 112.158 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 101.49 18.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.83 2.052 . . . . 0.0 114.397 169.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 177.21 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -96.3 168.35 10.63 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.084 0.553 . . . . 0.0 110.773 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -69.59 6.75 1.01 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.884 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -127.95 -8.16 5.48 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.62 0.768 . . . . 0.0 111.493 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.4 m -71.72 162.02 30.09 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -140.03 155.57 70.73 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.297 0.639 . . . . 0.0 109.396 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.24 -20.62 24.39 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.111 2.541 . . . . 0.0 112.167 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.53 -28.47 60.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -72.72 -50.65 23.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.23 -30.93 71.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -62.31 -44.39 96.62 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -80.72 -39.9 26.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 118.034 0.379 . . . . 0.0 110.714 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.74 -31.67 47.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 124.585 1.154 . . . . 0.0 111.187 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 26.7 m-85 -103.11 -11.43 18.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.994 0.361 . . . . 0.0 111.804 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -72.04 -24.03 61.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -67.82 -22.23 65.16 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -76.33 -9.15 58.42 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.033 0.533 . . . . 0.0 110.888 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.17 -82.71 0.16 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.76 126.04 2.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.667 1.187 . . . . 0.0 108.01 172.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.87 133.22 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -77.82 -23.63 66.47 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -167.41 169.28 12.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.787 0.835 . . . . 0.0 109.597 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.58 141.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -158.8 161.8 36.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.6 mt -141.58 90.73 8.71 Favored Pre-proline 0 N--CA 1.455 -0.213 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.15 -14.63 16.61 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 123.118 2.545 . . . . 0.0 113.177 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 25.79 -108.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 110.564 -175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -146.2 128.84 16.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -75.83 17.92 0.29 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 0.0 112.197 -173.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -138.84 -12.73 1.27 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 p -133.0 -17.98 2.37 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 122.63 0.372 . . . . 0.0 111.271 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 43.27 34.95 0.77 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.45 1.5 . . . . 0.0 113.512 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.25 8.67 4.71 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.7 m -93.57 29.2 2.06 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.204 0.602 . . . . 0.0 110.528 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.76 3.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.448 1.499 . . . . 0.0 112.012 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -57.94 -6.59 2.9 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.617 1.103 . . . . 0.0 114.167 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -151.77 179.71 8.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 118.547 1.174 . . . . 0.0 111.348 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.69 179.04 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.215 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.12 67.53 1.19 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.9 0.48 . . . . 0.0 111.235 -175.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 70.7 t -74.9 155.82 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 25.2 ttp-105 -149.48 160.81 43.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.212 0.46 . . . . 0.0 111.241 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 20.5 m-85 -132.53 162.85 30.21 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.135 0.974 . . . . 0.0 110.515 173.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -135.34 15.56 3.46 Favored 'General case' 0 CA--C 1.528 0.11 0 O-C-N 124.001 0.813 . . . . 0.0 112.002 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.87 131.24 38.92 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -62.1 -30.94 71.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.51 -39.39 64.85 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.061 0.846 . . . . 0.0 110.558 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -77.71 -29.55 51.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.63 -46.7 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.804 0.441 . . . . 0.0 111.389 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.7 -32.55 72.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.22 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.41 -38.09 63.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 118.419 0.554 . . . . 0.0 110.641 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.07 72.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.152 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -90.62 -27.89 18.78 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 118.84 0.745 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -68.87 -10.21 55.75 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.356 -0.215 . . . . 0.0 111.189 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.45 -8.57 3.7 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -120.55 -18.33 7.84 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.77 52.56 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.072 1.305 . . . . 0.0 111.705 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.3 3.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.128 0.87 . . . . 0.0 112.672 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.82 -175.24 2.89 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.328 1.064 . . . . 0.0 111.146 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.94 120.6 26.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.65 -55.88 7.74 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.5 -1.16 0.4 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.61 -7.98 0.08 OUTLIER Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -121.47 -174.22 2.81 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.439 1.12 . . . . 0.0 109.584 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.98 171.63 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.819 0.448 . . . . 0.0 111.156 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.86 162.83 21.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -141.99 133.51 26.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 75' ' ' MET . 61.3 t -150.9 126.11 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.06 164.94 20.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.541 0.21 . . . . 0.0 110.957 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.9 mmt -65.82 148.65 51.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.333 0.253 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.39 -177.24 5.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.752 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.74 -9.42 1.39 Allowed 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 123.52 0.728 . . . . 0.0 112.16 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.71 174.87 10.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.031 0.532 . . . . 0.0 110.453 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.38 -27.93 5.95 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 172.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -154.27 154.67 30.0 Favored Pre-proline 0 N--CA 1.447 -0.589 0 C-N-CA 125.938 1.695 . . . . 0.0 107.501 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.18 145.49 76.23 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 125.109 3.873 . . . . 0.0 110.462 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.63 -20.78 9.09 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.47 2.78 . . . . 0.0 114.256 -172.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.37 17.41 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.287 0.949 . . . . 0.0 113.336 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--N 1.333 -0.134 0 O-C-N 121.805 -0.559 . . . . 0.0 112.026 -178.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.534 0.207 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.42 176.39 39.58 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 10.9 ptm85 -52.78 149.64 11.07 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.221 1.008 . . . . 0.0 112.069 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 77.3 Cg_exo -51.1 159.66 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.654 3.569 . . . . 0.0 111.875 170.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.57 150.85 15.35 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.309 2.673 . . . . 0.0 112.199 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -79.08 8.73 3.66 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.444 3.429 . . . . 0.0 113.089 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -140.64 19.56 2.35 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.634 0.652 . . . . 0.0 111.844 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.8 -11.77 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 121.942 -0.474 . . . . 0.0 111.892 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.43 4.09 41.03 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.327 0.651 . . . . 0.0 111.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.08 15.67 3.25 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.236 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.8 mtm -142.56 168.46 19.67 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.903 0.852 . . . . 0.0 109.442 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.1 t -68.88 177.74 2.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.661 0.267 . . . . 0.0 110.483 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -151.8 151.08 30.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.731 0.776 . . . . 0.0 110.893 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 15.5 tp -143.63 152.5 41.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 14.8 pttp -130.27 165.8 21.69 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.394 0.997 . . . . 0.0 111.787 170.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 72.7 t -139.68 133.48 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.497 1.119 . . . . 0.0 109.073 -176.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -151.95 -173.12 4.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.483 1.113 . . . . 0.0 111.449 -174.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 54.71 92.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.412 1.485 . . . . 0.0 112.027 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.46 175.53 8.15 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.924 0.49 . . . . 0.0 111.563 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -84.02 169.35 15.05 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 111.644 -176.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -70.82 7.29 1.18 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.054 0.541 . . . . 0.0 111.691 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 mmm-85 -128.1 -8.71 5.38 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.729 0.812 . . . . 0.0 111.751 -177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -70.98 160.95 31.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 68.4 m -145.3 161.82 39.95 Favored Pre-proline 0 CA--C 1.53 0.181 0 C-N-CA 123.373 0.669 . . . . 0.0 109.628 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 73.2 Cg_endo -71.57 -23.12 23.6 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.073 1.848 . . . . 0.0 112.278 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.71 -33.9 60.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.319 0.509 . . . . 0.0 110.852 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.15 -49.88 63.21 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 176.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 33' ' ' VAL . 24.9 mt -59.8 -28.52 67.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.082 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.89 -45.9 84.0 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.547 0.612 . . . . 0.0 110.205 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -80.53 -44.69 18.67 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.7 m -67.19 -23.11 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 111.665 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.76 -16.37 19.9 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.368 0.531 . . . . 0.0 112.406 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.0 -31.3 68.67 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 0.647 . . . . 0.0 111.053 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.87 -22.17 65.99 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.968 0.507 . . . . 0.0 112.244 -175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -76.22 -12.31 60.07 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 122.687 0.395 . . . . 0.0 110.673 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.27 -73.29 0.25 Allowed Glycine 0 C--N 1.337 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -165.3 113.18 0.99 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.94 131.59 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.55 -23.77 61.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -168.11 171.74 9.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.789 0.435 . . . . 0.0 110.752 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -154.89 131.45 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.088 0.955 . . . . 0.0 108.785 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -152.54 161.16 42.96 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.47 96.74 4.78 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 -7.7 2.41 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 125.276 3.984 . . . . 0.0 117.755 -172.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 52' ' ' LYS . 13.3 mmt-85 31.02 -117.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.113 0.965 . . . . 0.0 111.139 -173.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.71 5.26 1.56 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.854 0.862 . . . . 0.0 111.697 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 43.38 7.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.577 2.751 . . . . 0.0 115.846 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.93 -21.08 0.57 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.799 0.727 . . . . 0.0 112.655 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 p -128.86 -11.86 4.81 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.029 0.377 . . . . 0.0 111.374 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 47' ' ' ARG . 36.6 mtmm 43.82 44.13 5.51 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.821 1.248 . . . . 0.0 114.09 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.17 7.69 2.66 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -61.88 -41.39 97.82 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.054 0.843 . . . . 0.0 110.507 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 14.04 66.93 0.01 OUTLIER 'General case' 0 C--N 1.34 0.172 0 C-N-CA 127.723 2.409 . . . . 0.0 114.109 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.1 -3.4 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.256 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.23 178.88 9.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.16 0.98 . . . . 0.0 109.915 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.52 -179.86 7.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.964 0.505 . . . . 0.0 110.117 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -148.5 76.83 1.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.724 0.81 . . . . 0.0 109.99 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 25.7 t -80.85 158.28 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -142.48 160.57 40.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.974 0.807 . . . . 0.0 111.092 178.642 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -127.51 166.72 17.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.041 0.936 . . . . 0.0 108.815 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -139.41 12.37 2.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -133.65 135.71 44.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -62.73 -36.81 84.2 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -68.97 -40.96 78.54 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.898 0.772 . . . . 0.0 110.726 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.75 -29.86 56.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.03 -33.16 70.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.97 -0.456 . . . . 0.0 110.63 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -73.44 -38.1 65.63 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.561 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.68 -35.95 73.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.459 -0.305 . . . . 0.0 111.218 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.47 -29.04 20.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.361 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.23 -8.97 50.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.829 0.286 . . . . 0.0 111.187 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.59 -7.34 3.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.409 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.5 mmt -118.9 -26.51 6.01 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.677 0.671 . . . . 0.0 112.342 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.42 126.17 28.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 119.864 1.211 . . . . 0.0 110.437 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.26 0.99 85.11 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.513 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.02 -177.06 1.54 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.629 0.714 . . . . 0.0 110.903 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.53 142.03 41.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.081 0 C-N-CA 123.742 0.817 . . . . 0.0 109.415 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.43 -53.15 2.67 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 122.474 0.309 . . . . 0.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -137.82 -3.81 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.91 -7.38 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.774 -0.459 . . . . 0.0 112.798 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -109.94 -165.32 1.0 Allowed 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.562 0.681 . . . . 0.0 109.674 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -104.3 162.25 13.37 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.776 0.431 . . . . 0.0 110.129 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.49 151.3 49.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 21.6 mmt180 -139.87 137.61 35.03 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.042 0.448 . . . . 0.0 111.132 -172.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 18' ' ' VAL . 57.6 t -152.12 124.85 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.531 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -164.44 165.93 21.0 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.492 0.317 . . . . 0.0 110.269 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.9 144.24 55.25 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.783 0.433 . . . . 0.0 111.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.94 178.34 4.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.872 0.469 . . . . 0.0 111.431 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -137.8 -15.48 1.36 Allowed 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.74 173.23 11.91 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.99 0.516 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.16 -33.95 4.11 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 172.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -154.97 145.63 16.19 Favored Pre-proline 0 N--CA 1.446 -0.654 0 C-N-CA 125.635 1.574 . . . . 0.0 107.626 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.18 120.63 8.16 Favored 'Trans proline' 0 N--CA 1.45 -1.07 1 C-N-CA 125.486 4.124 . . . . 0.0 110.319 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.45 -0.85 10.94 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 124.118 3.212 . . . . 0.0 112.845 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.97 32.72 2.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.373 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 174.21 41.73 Favored Glycine 0 C--N 1.336 0.555 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 5' ' ' ARG . 11.3 ptm85 -60.03 154.18 51.5 Favored Pre-proline 0 N--CA 1.449 -0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.155 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.85 160.75 47.01 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.839 3.693 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.68 160.4 48.26 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.058 2.505 . . . . 0.0 110.127 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.62 18.81 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 124.304 3.336 . . . . 0.0 112.054 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 11' ' ' GLU . 31.4 t0 -138.63 23.96 2.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.358 0.526 . . . . 0.0 111.814 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.9 9.56 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 123.106 0.563 . . . . 0.0 112.159 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 9' ' ' ASP . 35.8 mt-10 -126.63 11.71 7.34 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.315 0.646 . . . . 0.0 110.072 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.87 17.81 2.99 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.734 0.683 . . . . 0.0 111.739 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.6 mtm -141.73 169.71 17.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.492 0.717 . . . . 0.0 110.465 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 m -63.99 159.64 19.6 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -150.02 125.77 10.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -131.18 93.95 3.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.717 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 46.6 tttp -64.53 147.16 53.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.407 1.083 . . . . 0.0 110.869 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.4 t -134.67 137.76 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.819 1.247 . . . . 0.0 108.027 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.63 -174.69 4.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.966 0.906 . . . . 0.0 112.395 -172.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 70.94 93.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.66 1.584 . . . . 0.0 111.452 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' CD2' ' HB ' ' A' ' 25' ' ' THR . 5.3 mt -117.51 169.7 9.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.555 1.542 . . . . 0.0 112.534 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.651 HG23 ' HD3' ' A' ' 83' ' ' ARG . 44.6 p -109.66 166.2 11.09 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.419 0.628 . . . . 0.0 110.196 165.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -71.22 4.7 2.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.08 172.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -121.67 -1.77 9.46 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 110.564 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 24.6 m -109.58 166.66 10.73 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 172.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 73.3 m -150.7 164.05 21.76 Favored Pre-proline 0 N--CA 1.457 -0.104 0 O-C-N 122.151 -0.343 . . . . 0.0 110.595 -170.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 54.2 Cg_endo -67.5 -16.72 47.95 Favored 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 122.477 2.118 . . . . 0.0 111.784 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.55 -34.11 60.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -49.04 66.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.23 -32.17 73.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.837 -178.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 -61.22 -40.06 92.6 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -88.75 -37.58 15.36 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.58 0.752 . . . . 0.0 111.286 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.08 -36.36 71.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 124.416 1.087 . . . . 0.0 110.937 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.8 m-85 -101.22 -11.91 19.14 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.7 -32.35 70.43 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.274 -0.266 . . . . 0.0 111.707 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.11 -19.65 64.05 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -80.0 -11.93 59.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.813 0.445 . . . . 0.0 110.92 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.52 -85.39 0.14 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -152.52 121.85 6.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -57.3 -18.3 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.28 2.33 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.0 1.286 . . . . 0.0 111.96 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -155.64 163.58 39.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.868 0.867 . . . . 0.0 108.703 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.2 p -148.77 121.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -146.16 169.1 19.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.065 0.46 . . . . 0.0 111.62 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -141.58 97.48 6.66 Favored Pre-proline 0 N--CA 1.457 -0.116 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -54.06 16.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 1 C-N-CA 126.848 5.032 . . . . 0.0 117.037 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -58.35 160.15 5.49 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.841 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.6 129.25 40.15 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.025 0.441 . . . . 0.0 111.506 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -67.03 1.89 1.75 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.975 1.31 . . . . 0.0 112.955 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.81 -9.26 1.2 Allowed 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -134.72 -15.38 2.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.72 0.408 . . . . 0.0 111.542 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 35.59 42.76 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.97 2.108 . . . . 0.0 114.515 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.58 28.72 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.1 0.56 . . . . 0.0 111.64 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -128.83 35.67 4.31 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 123.419 0.688 . . . . 0.0 110.572 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -64.39 3.91 0.42 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.783 0.833 . . . . 0.0 112.546 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.3 11.8 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.041 0.829 . . . . 0.0 113.367 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -152.69 177.97 10.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.036 0.918 . . . . 0.0 110.767 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.37 5.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.932 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -149.08 59.91 1.04 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.558 1.143 . . . . 0.0 109.023 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 10.0 t -69.91 145.2 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 170.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 ttp-105 -144.91 105.03 4.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.967 1.258 . . . . 0.0 112.779 -172.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -73.36 161.95 29.88 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -128.01 6.52 6.0 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.218 0.607 . . . . 0.0 111.91 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -129.98 126.73 38.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.0 -30.3 71.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -171.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.74 -43.71 68.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.266 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.53 -27.72 58.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.26 -39.26 59.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.489 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -75.47 -39.62 58.43 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.606 0.639 . . . . 0.0 111.032 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 119.313 -0.375 . . . . 0.0 111.475 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.406 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 19.8 ptt? -88.88 -27.02 21.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.97 0.805 . . . . 0.0 110.861 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.59 -6.66 48.03 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 122.144 0.177 . . . . 0.0 110.853 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.38 -5.93 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.31 -14.78 7.37 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.07 61.84 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.334 1.425 . . . . 0.0 112.217 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.52 -2.05 0.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.027 0.823 . . . . 0.0 111.94 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.02 -174.71 2.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.626 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.9 t -132.24 142.79 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 C-N-CA 123.803 0.841 . . . . 0.0 110.595 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.9 tp -148.55 138.29 22.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 172.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.0 t70 56.05 3.62 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.781 1.232 . . . . 0.0 113.162 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.92 7.38 44.4 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.651 ' HD3' HG23 ' A' ' 22' ' ' THR . 5.6 ptt-85 -107.67 -157.93 0.63 Allowed 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.137 0.975 . . . . 0.0 109.393 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -113.97 170.34 8.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -132.59 150.64 52.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -140.48 144.06 35.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.3 p -163.93 134.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -163.58 171.53 15.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.1 mmt -63.62 162.9 12.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.533 0.206 . . . . 0.0 110.624 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.04 179.68 3.88 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 111.596 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -138.58 179.01 6.72 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 124.14 0.976 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 50.11 -153.18 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.893 0.477 . . . . 0.0 110.697 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.19 -46.59 0.05 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -158.34 150.35 17.35 Favored Pre-proline 0 N--CA 1.451 -0.391 0 C-N-CA 125.56 1.544 . . . . 0.0 107.529 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.89 137.75 21.71 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 125.007 3.805 . . . . 0.0 111.821 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.78 -31.25 5.39 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.897 2.398 . . . . 0.0 111.196 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -169.68 111.76 0.47 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.705 0.802 . . . . 0.0 109.494 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.557 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 173.35 44.12 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -52.39 151.56 7.28 Favored Pre-proline 0 N--CA 1.447 -0.577 0 C-N-CA 123.818 0.847 . . . . 0.0 111.838 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.2 157.29 54.14 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.066 3.177 . . . . 0.0 110.14 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.21 162.01 41.6 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.664 2.909 . . . . 0.0 110.194 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -83.2 24.91 0.71 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 124.292 3.328 . . . . 0.0 112.882 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -137.36 14.16 3.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.55 -9.97 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.538 0.735 . . . . 0.0 111.164 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.24 12.54 16.51 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.019 0.528 . . . . 0.0 110.823 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.31 9.7 6.21 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtm -145.01 175.47 10.21 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.707 0.803 . . . . 0.0 110.219 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.4 m -58.53 160.16 5.72 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.833 0.853 . . . . 0.0 110.129 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -149.95 132.03 15.33 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 6.4 tp -137.78 95.01 2.97 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.744 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -69.94 160.37 32.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.923 0.392 . . . . 0.0 111.078 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 60' ' ' VAL . 54.2 t -141.99 132.8 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.567 0.747 . . . . 0.0 109.785 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -155.99 -178.49 7.34 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.0 t30 90.2 -0.08 0.24 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.668 2.387 . . . . 0.0 114.156 170.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.887 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.81 171.78 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.705 0.684 . . . . 0.0 112.302 176.454 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 p -72.88 167.1 21.68 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.473 0.654 . . . . 0.0 112.575 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -74.16 10.13 1.35 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.288 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -124.6 -12.99 7.13 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.717 0.807 . . . . 0.0 111.552 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -68.05 165.24 18.41 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.6 m -136.84 156.59 75.89 Favored Pre-proline 0 C--O 1.233 0.193 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.45 -18.07 43.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.946 2.431 . . . . 0.0 112.056 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 -31.73 48.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 -50.28 55.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.13 -32.42 73.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.27 -45.97 89.77 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -82.54 -39.15 22.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.654 0.264 . . . . 0.0 110.756 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.58 -32.02 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 111.292 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -107.27 -10.08 15.91 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 118.164 0.438 . . . . 0.0 112.149 -175.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.24 -25.07 65.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.496 0.189 . . . . 0.0 110.851 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.38 -21.6 59.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.99 -14.36 59.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.178 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.97 -61.57 0.47 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.388 -0.674 . . . . 0.0 113.75 171.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.17 90.42 1.27 Allowed 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.054 0.927 . . . . 0.0 113.198 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.01 62.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.454 1.102 . . . . 0.0 108.556 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.23 -20.36 9.66 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.976 1.274 . . . . 0.0 113.344 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -153.12 156.67 39.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.954 0.877 . . . . 0.0 109.447 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.37 124.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 C-N-CA 124.052 0.941 . . . . 0.0 108.711 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -151.52 167.8 26.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.5 -176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.3 mt -142.86 91.34 7.3 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 124.251 1.02 . . . . 0.0 108.252 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.35 17.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.471 4.114 . . . . 0.0 115.003 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 37.2 ptt180 -41.72 -63.11 0.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.886 0.766 . . . . 0.0 112.11 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.496 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 7.1 t70 -163.73 -175.71 4.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -139.06 7.28 2.43 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.987 0.422 . . . . 0.0 110.845 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -137.12 -11.76 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.56 0.744 . . . . 0.0 111.259 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.1 p -130.32 -14.05 3.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.19 0.596 . . . . 0.0 110.776 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt 27.69 53.77 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.366 2.266 . . . . 0.0 114.259 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.47 -5.62 1.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.7 m -79.52 39.42 0.4 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.549 0.613 . . . . 0.0 111.177 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.57 14.81 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.659 1.584 . . . . 0.0 114.426 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.01 0.99 9.05 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.397 -0.668 . . . . 0.0 113.386 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -158.93 178.58 9.93 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.33 1.065 . . . . 0.0 110.76 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.96 -173.61 4.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.774 0.83 . . . . 0.0 109.758 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.57 91.79 1.69 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.104 0.562 . . . . 0.0 109.764 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 18' ' ' VAL . 15.0 m -97.09 160.66 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.6 ttp-105 -140.35 146.98 39.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 111.358 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -116.09 161.42 18.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.335 171.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -136.37 17.76 3.16 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.73 134.13 40.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.67 -36.91 82.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -69.98 -41.0 75.01 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.589 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.16 -25.76 39.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.29 55.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.489 -0.132 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.32 -33.16 69.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.348 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.65 -38.36 70.71 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.734 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.212 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.54 -28.09 20.98 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.588 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.54 -9.42 49.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.921 -0.487 . . . . 0.0 111.19 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 -5.78 3.06 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -124.66 -20.62 5.03 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.52 61.4 1.29 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.874 1.215 . . . . 0.0 111.542 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -5.46 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.884 0.754 . . . . 0.0 111.863 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -178.99 1.45 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.565 0.746 . . . . 0.0 111.524 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -136.38 127.47 42.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.544 0.738 . . . . 0.0 109.264 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.49 -54.25 6.65 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -148.75 -15.64 0.32 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.9 22.64 0.02 OUTLIER Glycine 0 CA--C 1.528 0.853 0 CA-C-N 118.654 0.661 . . . . 0.0 113.863 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -135.19 -149.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.412 1.085 . . . . 0.0 108.889 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.8 165.68 14.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.892 0.477 . . . . 0.0 110.076 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.65 158.32 38.86 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -138.67 138.43 37.78 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 122.689 0.396 . . . . 0.0 110.636 -173.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' MET . 66.1 t -152.34 118.1 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.271 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -158.79 168.33 27.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.752 0.31 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.3 mmt -66.46 148.68 51.53 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 110.526 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.39 179.58 5.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.72 0.295 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -138.67 -7.49 1.46 Allowed 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.112 0.565 . . . . 0.0 112.488 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.33 178.2 6.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.49 0.716 . . . . 0.0 110.521 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.69 19.91 6.54 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 122.43 147.53 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.201 0 C-N-CA 131.299 3.839 . . . . 0.0 108.912 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -59.94 143.31 99.6 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 125.171 3.914 . . . . 0.0 110.854 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.83 -11.98 21.86 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.033 3.155 . . . . 0.0 112.211 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.12 160.57 42.91 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.097 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.322 0.582 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.59 169.62 38.67 Favored Glycine 0 C--N 1.334 0.466 0 CA-C-O 121.352 0.418 . . . . 0.0 112.719 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.4 20.92 Favored Pre-proline 0 N--CA 1.448 -0.548 0 C-N-CA 124.389 1.075 . . . . 0.0 112.647 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.86 165.81 28.56 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.995 3.797 . . . . 0.0 110.611 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -66.38 154.98 72.21 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.982 2.455 . . . . 0.0 110.883 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -79.06 18.2 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 124.901 3.734 . . . . 0.0 113.023 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -136.81 16.2 3.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.263 0.483 . . . . 0.0 111.969 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.8 -16.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 O-C-N 121.995 -0.44 . . . . 0.0 111.485 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.51 -7.93 54.65 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.455 0.702 . . . . 0.0 111.929 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.69 20.93 4.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 123.42 0.533 . . . . 0.0 112.601 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.3 mtm -141.46 164.52 30.0 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 117.739 0.769 . . . . 0.0 110.527 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -77.58 177.27 8.2 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.843 0.457 . . . . 0.0 110.24 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -147.36 135.61 21.57 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.501 0.721 . . . . 0.0 110.049 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.6 tm? -133.52 93.39 3.13 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 122.706 0.402 . . . . 0.0 110.394 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -69.02 154.83 41.39 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.068 1.347 . . . . 0.0 111.903 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.6 t -138.35 135.62 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 125.259 1.424 . . . . 0.0 108.067 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.86 177.91 10.96 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 85.38 12.41 0.23 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.029 2.131 . . . . 0.0 114.523 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -59.63 174.62 0.43 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.126 0.876 . . . . 0.0 112.515 178.348 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.7 p -78.83 169.67 17.86 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 121.51 0.671 . . . . 0.0 111.973 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -77.23 11.17 2.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.083 175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -126.79 -16.43 5.2 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.684 0.794 . . . . 0.0 111.891 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 84.9 m -74.54 167.08 22.44 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -140.85 162.02 50.85 Favored Pre-proline 0 CA--C 1.528 0.132 0 O-C-N 122.118 -0.364 . . . . 0.0 110.361 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.55 -17.08 43.41 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.159 1.906 . . . . 0.0 111.116 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.68 -43.24 72.89 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -66.34 -51.74 54.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.587 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.567 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.9 mt -58.21 -26.6 63.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.961 -172.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -68.88 -42.11 77.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.222 0.464 . . . . 0.0 110.572 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -86.79 -41.91 13.72 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.8 m -67.12 -24.73 32.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 111.473 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.0 m-85 -96.8 -16.8 20.62 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 118.26 0.482 . . . . 0.0 112.293 174.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.18 -30.51 37.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.129 0.422 . . . . 0.0 111.841 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.97 -21.59 61.56 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -84.45 -16.13 43.63 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 122.449 0.3 . . . . 0.0 110.773 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.7 -160.1 27.36 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -61.42 90.36 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.3 p -72.01 53.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 168.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.84 -8.23 5.51 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.166 1.365 . . . . 0.0 113.342 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.53 145.79 27.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 117.458 0.629 . . . . 0.0 109.556 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -153.77 107.41 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -137.24 165.67 25.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.8 mt -140.42 96.97 7.66 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.48 20.83 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.526 1 C-N-CA 126.818 5.012 . . . . 0.0 116.841 178.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -48.05 145.46 3.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.804 0.729 . . . . 0.0 110.403 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.06 125.17 17.9 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 ttt-85 -62.84 5.22 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.58 1.552 . . . . 0.0 113.68 -173.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -143.96 -8.32 0.71 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -139.15 -22.48 0.92 Allowed 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.087 0.403 . . . . 0.0 111.662 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 46.28 24.57 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.934 1.694 . . . . 0.0 114.317 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.45 22.51 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.246 1.018 . . . . 0.0 113.067 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -133.67 38.08 3.26 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -170.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -59.67 -6.64 1.22 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.398 1.079 . . . . 0.0 112.756 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.8 4.93 4.95 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 119.198 -0.779 . . . . 0.0 114.626 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -159.13 176.4 12.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.254 1.527 . . . . 0.0 111.626 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.27 -173.33 4.47 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.924 0.89 . . . . 0.0 110.82 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.9 60.54 1.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.32 1.448 . . . . 0.0 108.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 34.8 t -71.42 147.51 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 171.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 17.4 ttp-105 -141.17 143.85 34.46 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 112.305 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.08 161.61 15.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.241 171.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -126.29 15.53 7.77 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.194 0.598 . . . . 0.0 112.366 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -140.01 141.98 36.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.245 0.475 . . . . 0.0 110.223 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -60.25 -37.78 81.47 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.9 -37.5 64.64 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 119.046 0.839 . . . . 0.0 110.601 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -76.55 -31.51 57.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.2 67.28 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 122.853 0.461 . . . . 0.0 111.531 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -31.98 66.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 122.049 -0.407 . . . . 0.0 111.726 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -74.72 -38.28 62.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.66 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.83 72.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.804 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.59 -29.68 19.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 118.724 0.693 . . . . 0.0 110.494 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.79 -9.7 46.45 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.187 -0.32 . . . . 0.0 111.324 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.42 -6.32 3.33 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.442 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.6 mmt -120.78 -23.06 6.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.729 0.695 . . . . 0.0 112.625 174.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.8 125.63 26.88 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.739 1.154 . . . . 0.0 109.655 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.45 1.68 88.84 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.316 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 -174.54 0.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.7 0.75 . . . . 0.0 111.49 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -135.67 148.32 28.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.31 -53.32 2.67 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.096 0.559 . . . . 0.0 109.797 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -140.97 -3.65 1.23 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.44 -13.5 0.6 Allowed Glycine 0 C--N 1.341 0.836 0 O-C-N 122.089 -0.382 . . . . 0.0 112.681 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -91.74 -155.68 0.42 Allowed 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 117.662 0.731 . . . . 0.0 109.773 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 167.98 10.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.392 0.677 . . . . 0.0 109.68 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.89 156.17 49.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -141.57 144.83 34.46 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 16' ' ' LEU . 58.2 t -153.44 125.09 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.281 1.032 . . . . 0.0 108.249 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -165.06 165.05 20.29 Favored 'General case' 0 C--O 1.227 -0.095 0 CA-C-N 117.817 0.28 . . . . 0.0 110.632 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.87 153.86 31.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.609 0.364 . . . . 0.0 110.974 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.4 174.18 5.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -127.46 -12.93 5.54 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.33 0.652 . . . . 0.0 112.646 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -149.56 165.27 32.73 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.12 0.418 . . . . 0.0 110.294 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.24 -37.94 54.41 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.546 ' HB2' ' HD2' ' A' ' 95' ' ' PRO . 4.3 ppt_? 159.0 167.73 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 129.807 3.243 . . . . 0.0 109.393 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 94' ' ' ARG . 35.6 Cg_exo -54.69 145.26 60.85 Favored 'Trans proline' 0 N--CA 1.456 -0.685 1 C-N-CA 125.69 4.26 . . . . 0.0 112.365 -172.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.7 -44.16 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.97 2.447 . . . . 0.0 113.107 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -155.41 25.48 0.41 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.081 0.553 . . . . 0.0 111.913 -172.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.884 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 169.51 28.67 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -54.49 148.95 22.67 Favored Pre-proline 0 N--CA 1.454 -0.24 0 C-N-CA 123.822 0.849 . . . . 0.0 111.198 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 157.7 57.01 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.417 3.412 . . . . 0.0 111.035 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.98 160.99 33.32 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.642 2.895 . . . . 0.0 111.291 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.83 31.22 0.48 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 124.797 3.665 . . . . 0.0 111.348 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 11' ' ' GLU . 25.6 t0 -132.91 21.1 4.15 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.614 0.366 . . . . 0.0 111.724 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.79 16.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.964 0.905 . . . . 0.0 113.023 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 9' ' ' ASP . 40.3 mt-10 -125.25 10.24 8.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.795 0.838 . . . . 0.0 110.153 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 43.35 0.71 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG2' ' H ' ' A' ' 15' ' ' SER . 55.8 ttm -132.51 145.51 51.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.985 0.914 . . . . 0.0 110.539 -169.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.5 m -70.14 -28.69 65.56 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.595 0.358 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.505 ' H ' ' HG2' ' A' ' 13' ' ' MET . 39.6 m 46.82 50.16 13.68 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 125.574 1.549 . . . . 0.0 113.949 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.85 96.35 3.09 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.711 -0.618 . . . . 0.0 110.153 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.73 155.12 41.17 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.993 0.36 . . . . 0.0 111.221 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 77.6 t -140.33 135.13 35.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.045 0.938 . . . . 0.0 109.368 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -157.12 -174.9 5.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.127 0.971 . . . . 0.0 112.337 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 74.57 6.66 4.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.696 1.999 . . . . 0.0 114.683 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -61.62 175.09 0.66 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.879 0.763 . . . . 0.0 111.148 173.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 p -80.03 166.45 21.55 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.042 0.448 . . . . 0.0 111.988 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -77.91 -4.33 46.27 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.815 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -97.85 -18.7 18.57 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 26' ' ' SER . 78.2 m -71.11 167.49 19.19 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 74.4 m -141.62 161.08 53.98 Favored Pre-proline 0 CA--C 1.528 0.108 0 C-N-CA 122.933 0.493 . . . . 0.0 109.873 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 59.7 Cg_endo -69.81 -18.15 36.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.655 2.236 . . . . 0.0 111.678 -175.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.86 -31.18 51.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -50.48 44.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.65 -32.09 73.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.45 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -59.92 -44.86 94.07 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -82.8 -38.84 22.55 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 117.835 0.289 . . . . 0.0 111.291 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.71 -33.94 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 37.9 m-85 -104.31 -11.42 17.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.09 -21.38 64.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.67 -19.05 61.5 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.876 -0.515 . . . . 0.0 112.144 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -87.04 -13.44 44.35 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.401 0.68 . . . . 0.0 111.124 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.65 21.36 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -176.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -64.46 120.45 12.31 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.74 -17.12 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.928 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.29 -58.86 1.93 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 124.875 1.226 . . . . 0.0 111.884 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -151.73 159.11 44.09 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.865 0.866 . . . . 0.0 109.094 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.96 122.69 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -145.82 166.59 25.5 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.1 mt -143.92 93.21 6.16 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 124.672 1.189 . . . . 0.0 107.92 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -62.34 16.59 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.356 1 C-N-CA 125.617 4.211 . . . . 0.0 115.259 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 31.1 ptt180 -41.19 -62.42 0.84 Allowed 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.8 0.84 . . . . 0.0 113.123 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 6.5 m-20 -154.02 -179.49 7.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.168 0.987 . . . . 0.0 109.022 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -134.64 16.35 3.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.47 0.176 . . . . 0.0 110.828 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -137.52 -21.15 1.16 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.244 0.618 . . . . 0.0 112.237 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -136.01 -10.31 2.02 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 122.717 0.407 . . . . 0.0 112.055 -174.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 32.06 61.38 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.993 1.717 . . . . 0.0 113.273 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.91 -8.52 1.04 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 t -78.47 39.68 0.34 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.765 0.712 . . . . 0.0 111.057 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -65.41 15.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.517 1.527 . . . . 0.0 114.311 -174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 -3.29 16.63 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.223 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -154.49 -176.35 5.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.175 0.987 . . . . 0.0 110.057 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 21' ' ' LEU . . . -154.36 -176.9 6.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.338 0.655 . . . . 0.0 110.042 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -147.98 75.75 1.35 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.184 0.994 . . . . 0.0 109.042 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -76.16 148.44 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -148.75 106.04 3.63 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.733 0.697 . . . . 0.0 112.302 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -79.53 164.38 23.93 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 122.7 0.4 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -122.79 -6.13 8.55 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.142 0.577 . . . . 0.0 112.479 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -123.19 143.48 49.99 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 118.161 0.437 . . . . 0.0 111.18 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.19 -48.49 81.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.425 0.69 . . . . 0.0 112.613 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -73.9 -35.9 64.71 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 117.88 0.309 . . . . 0.0 111.77 -172.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.62 -30.52 67.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.34 -39.09 23.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.96 -30.19 68.57 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 121.779 -0.576 . . . . 0.0 111.243 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -76.22 -38.65 56.14 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.578 0.626 . . . . 0.0 110.29 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.98 70.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.557 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -91.24 -26.33 19.06 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 110.998 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.18 -9.48 58.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.111 0.164 . . . . 0.0 111.063 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 -9.75 3.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.427 ' HB2' HG11 ' A' ' 87' ' ' VAL . 6.0 mmt -115.18 -22.45 9.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.105 0.866 . . . . 0.0 112.909 174.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.35 125.34 23.81 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.834 1.197 . . . . 0.0 110.222 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 4.05 72.13 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.795 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.95 -178.22 1.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.897 0.848 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -141.74 149.56 19.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -140.7 -7.19 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.4 7.99 0.26 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.432 0.56 . . . . 0.0 111.805 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.05 5.3 44.08 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.551 -0.583 . . . . 0.0 111.883 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -106.82 -149.21 0.43 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -124.57 165.57 17.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 80' ' ' LEU . 83.3 mt -135.63 154.47 51.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -142.69 146.0 33.96 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.673 0.749 . . . . 0.0 111.642 -173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 75' ' ' MET . 2.4 p -164.04 135.12 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.129 176.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -169.3 171.65 7.75 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.57 158.67 20.53 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.96 -173.42 2.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 112.219 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -131.62 175.11 9.45 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.404 1.081 . . . . 0.0 109.063 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 51.57 -165.52 0.05 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.376 0.608 . . . . 0.0 111.347 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -114.47 -35.99 1.36 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 107.166 -2.374 . . . . 0.0 107.166 167.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -170.37 161.89 6.25 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 126.883 2.073 . . . . 0.0 105.54 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -55.62 141.06 84.24 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 124.404 3.403 . . . . 0.0 111.553 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.26 -6.99 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.846 3.031 . . . . 0.0 111.822 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -143.96 -171.67 3.6 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.71 1.204 . . . . 0.0 109.213 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 p . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 122.412 0.285 . . . . 0.0 111.396 -178.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.712 0.291 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.28 41.6 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -58.23 153.1 38.38 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.036 0.934 . . . . 0.0 111.527 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.69 157.88 47.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.239 3.293 . . . . 0.0 110.619 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.59 146.43 53.69 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.701 2.934 . . . . 0.0 111.92 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -77.88 6.57 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.07 3.18 . . . . 0.0 111.818 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -142.87 21.52 1.96 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.16 0.584 . . . . 0.0 111.246 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.26 -20.02 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.201 1.0 . . . . 0.0 111.957 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.16 -6.99 51.0 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.47 0.708 . . . . 0.0 112.555 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.8 30.25 3.79 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.91 0.767 . . . . 0.0 112.996 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.4 mtm -134.61 173.32 11.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 117.93 0.865 . . . . 0.0 110.858 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -56.46 -33.82 66.29 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 123.227 0.611 . . . . 0.0 111.751 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m 40.76 47.56 2.5 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.831 1.252 . . . . 0.0 113.562 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 87' ' ' VAL . 9.7 tp -68.6 92.67 0.47 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.04 0.536 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 11.7 pttp -70.25 164.01 25.26 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.777 0.717 . . . . 0.0 111.469 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.7 t -143.75 134.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 124.383 1.073 . . . . 0.0 109.053 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -153.41 177.25 11.1 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.518 0.727 . . . . 0.0 112.533 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 91.23 21.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.739 2.016 . . . . 0.0 113.622 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -58.84 175.84 0.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.63 0.772 . . . . 0.0 113.027 177.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -84.33 167.93 16.08 Favored 'General case' 0 CA--C 1.524 -0.058 0 CA-C-O 121.551 0.691 . . . . 0.0 111.07 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -70.87 9.14 0.73 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.603 0.761 . . . . 0.0 111.786 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -133.16 -7.39 3.02 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.088 0.955 . . . . 0.0 112.325 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' HD22 ' A' ' 21' ' ' LEU . 93.7 m -70.22 162.35 28.58 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 69.9 m -139.31 160.21 62.99 Favored Pre-proline 0 C--O 1.233 0.231 0 C-N-CA 123.445 0.698 . . . . 0.0 109.942 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.4 Cg_endo -72.22 -16.41 28.27 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.46 2.106 . . . . 0.0 111.635 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.39 -31.46 42.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -50.22 53.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.0 -30.94 71.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -61.26 -44.68 96.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -81.17 -39.97 24.67 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 122.329 -0.232 . . . . 0.0 110.854 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.2 -33.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 111.207 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.3 m-85 -103.63 -11.2 17.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.26 -21.41 64.81 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.805 0.275 . . . . 0.0 111.695 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.228 -0.064 0 O-C-N 121.83 -0.544 . . . . 0.0 111.795 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -85.47 -14.26 46.61 Favored 'General case' 0 N--CA 1.458 -0.034 0 C-N-CA 123.231 0.612 . . . . 0.0 111.49 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.12 -175.05 23.44 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 108.349 -1.9 . . . . 0.0 108.349 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.27 119.46 10.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 m -58.52 -15.82 6.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.13 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.31 -56.89 2.84 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.554 1.073 . . . . 0.0 112.163 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -156.81 163.58 39.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.813 0.845 . . . . 0.0 108.784 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.7 127.4 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -150.88 155.44 39.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.906 0.384 . . . . 0.0 111.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -141.21 95.04 7.54 Favored Pre-proline 0 N--CA 1.456 -0.166 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -74.11 -6.07 17.93 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.377 3.385 . . . . 0.0 115.776 -165.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 47' ' ' ARG . 10.9 mmt-85 35.43 -125.8 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -171.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.1 130.37 20.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 168.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -71.44 16.04 0.11 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -168.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.83 -13.01 1.26 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -136.26 -11.19 1.93 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.72 0.408 . . . . 0.0 111.731 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 37.52 48.57 0.9 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.342 1.857 . . . . 0.0 114.065 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.95 5.84 3.1 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -85.51 35.69 0.62 Allowed 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.698 -0.626 . . . . 0.0 111.413 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.07 3.4 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.579 1.552 . . . . 0.0 112.859 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.23 -6.75 34.73 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 119.135 -0.814 . . . . 0.0 114.004 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -153.86 -179.55 7.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.173 1.487 . . . . 0.0 111.617 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.36 178.79 7.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 62.27 0.92 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 21.5 t -75.3 148.37 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 171.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -152.09 109.09 3.52 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.894 1.224 . . . . 0.0 113.987 -173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.94 167.11 20.91 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.323 0.649 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -132.36 7.49 4.22 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.021 0.528 . . . . 0.0 112.188 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.14 134.37 45.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 122.736 0.414 . . . . 0.0 110.086 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.5 -34.24 75.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -172.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -76.56 -40.24 50.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.934 0.788 . . . . 0.0 110.939 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -70.92 -29.48 65.54 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.49 -41.95 19.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.76 -32.74 74.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.779 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.97 -38.54 66.68 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.527 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.47 71.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 119.265 -0.398 . . . . 0.0 111.525 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -91.25 -27.46 18.43 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 118.76 0.709 . . . . 0.0 110.794 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.9 -10.2 57.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.154 0.182 . . . . 0.0 111.036 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.28 -9.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.5 mmt -115.93 -23.85 8.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.149 0.886 . . . . 0.0 113.208 174.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.99 120.68 11.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.006 1.275 . . . . 0.0 110.153 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.7 4.46 85.19 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.35 -172.35 0.91 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.551 0.676 . . . . 0.0 111.344 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.42 149.28 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.894 0.877 . . . . 0.0 109.137 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 tp -120.39 -60.05 1.71 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.414 0.286 . . . . 0.0 111.599 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -118.05 -7.79 10.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.78 -14.85 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.248 0.452 . . . . 0.0 111.989 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 83' ' ' ARG . 0.9 OUTLIER -93.34 -160.76 0.78 Allowed 'General case' 0 C--N 1.341 0.219 0 CA-C-N 117.411 0.605 . . . . 0.0 109.456 176.307 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.75 169.73 8.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -136.36 156.53 48.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -144.95 154.32 42.46 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.457 0.646 . . . . 0.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -170.02 131.59 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.877 -178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -169.69 165.26 10.08 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 122.91 0.484 . . . . 0.0 109.954 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.09 148.97 46.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.727 0.411 . . . . 0.0 111.194 -177.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.71 177.55 4.09 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.932 0.493 . . . . 0.0 111.612 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -141.96 -6.72 0.96 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.16 -177.89 4.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.104 0.562 . . . . 0.0 111.102 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.89 21.65 5.85 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.351 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 122.97 144.66 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 130.786 3.634 . . . . 0.0 109.391 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -70.25 129.94 17.91 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 125.137 3.891 . . . . 0.0 112.445 -174.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -83.23 179.22 5.25 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.961 3.107 . . . . 0.0 110.055 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.97 31.49 1.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.658 1.183 . . . . 0.0 114.118 174.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--N 1.339 0.12 0 O-C-N 121.964 -0.46 . . . . 0.0 111.213 177.44 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -158.34 -179.16 7.84 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 51.16 -161.34 0.08 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.783 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.85 148.12 19.76 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 96.4 mtt180 -66.23 152.22 94.51 Favored Pre-proline 0 N--CA 1.448 -0.534 0 C-N-CA 122.535 0.334 . . . . 0.0 110.643 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 75.1 Cg_exo -49.8 148.73 11.95 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 124.461 3.441 . . . . 0.0 112.041 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.81 160.41 40.74 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.714 2.943 . . . . 0.0 111.086 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.1 39.38 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 1 C-N-CA 125.616 4.211 . . . . 0.0 111.145 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -129.31 15.29 6.13 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.063 0.545 . . . . 0.0 111.482 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.25 -10.05 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.23 0.612 . . . . 0.0 112.325 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.67 -7.06 53.37 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.965 0.506 . . . . 0.0 112.031 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.75 12.46 0.31 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.933 -0.371 . . . . 0.0 112.627 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.503 ' HG2' ' H ' ' A' ' 15' ' ' SER . 57.3 ttm -61.38 141.05 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.99 0.916 . . . . 0.0 110.952 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.5 m -73.05 -29.11 62.73 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.503 ' H ' ' HG2' ' A' ' 13' ' ' MET . 32.8 m 55.96 41.59 29.68 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 124.511 1.125 . . . . 0.0 113.256 171.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 tp -68.73 144.78 54.28 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.564 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 15.0 pttp -126.97 165.46 19.37 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.014 0.825 . . . . 0.0 111.846 170.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 92.1 t -140.06 138.52 37.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.928 0.891 . . . . 0.0 109.701 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.95 -177.56 6.71 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.09 1.356 . . . . 0.0 111.056 -175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 91.03 -0.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.322 2.249 . . . . 0.0 113.526 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.85 179.64 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.841 0.856 . . . . 0.0 111.527 176.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -92.04 169.73 10.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.226 0.536 . . . . 0.0 112.076 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -74.75 7.13 3.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.348 0.659 . . . . 0.0 111.472 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -122.52 -11.44 8.29 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 124.047 0.939 . . . . 0.0 111.709 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -66.44 165.62 14.0 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -143.86 157.44 57.99 Favored Pre-proline 0 C--O 1.233 0.217 0 C-N-CA 122.683 0.393 . . . . 0.0 110.129 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.24 -24.25 23.42 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.875 2.384 . . . . 0.0 112.891 -172.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.0 -28.18 65.3 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -55.22 8.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -66.39 -29.17 69.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.156 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -61.43 -46.68 89.08 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.6 ttm105 -81.43 -38.69 26.08 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 122.714 0.406 . . . . 0.0 111.042 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.08 -34.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 124.262 1.025 . . . . 0.0 111.424 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 33.1 m-85 -100.76 -11.38 19.95 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.09 -25.8 67.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.391 0.277 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.99 -22.25 59.68 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 122.825 0.45 . . . . 0.0 111.887 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -74.41 -14.77 60.9 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.52 -60.93 0.46 Allowed Glycine 0 C--N 1.34 0.769 0 C-N-CA 120.533 -0.841 . . . . 0.0 113.385 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -153.29 96.61 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.546 0.688 . . . . 0.0 111.401 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.04 59.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 169.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . -51.17 -21.89 6.2 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 124.788 1.185 . . . . 0.0 112.671 -174.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -159.02 162.26 36.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 117.924 0.862 . . . . 0.0 110.493 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 p -157.41 144.77 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -151.32 161.9 41.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -142.8 89.73 7.95 Favored Pre-proline 0 CA--C 1.529 0.159 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 72.4 Cg_endo -79.34 25.92 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 124.711 3.608 . . . . 0.0 112.376 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 34.2 ptt180 -32.47 -58.38 0.33 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.888 1.275 . . . . 0.0 112.466 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' HB2' ' H ' ' A' ' 52' ' ' LYS . 3.7 m-20 -156.89 -178.53 7.43 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 10.4 ttp180 -139.66 15.29 2.52 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 110.42 172.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -134.7 -11.39 2.35 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.024 0.53 . . . . 0.0 111.311 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.6 p -138.64 -18.13 1.09 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.655 0.782 . . . . 0.0 111.224 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' H ' ' HB2' ' A' ' 48' ' ' ASP . 96.4 mttt 35.47 56.51 0.87 Allowed 'General case' 0 C--N 1.343 0.291 0 C-N-CA 126.748 2.019 . . . . 0.0 113.284 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -147.83 -0.52 0.62 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -62.54 -46.54 87.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 119.887 1.221 . . . . 0.0 111.19 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' H ' ' HB2' ' A' ' 47' ' ' ARG . 4.7 ptm180 36.57 19.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.359 2.664 . . . . 0.0 116.498 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.22 -8.87 80.23 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.899 -0.501 . . . . 0.0 112.887 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -158.0 -179.39 8.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.715 0.758 . . . . 0.0 110.311 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.93 -177.29 5.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.922 0.889 . . . . 0.0 109.46 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -144.18 75.6 1.47 Allowed 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.936 0.895 . . . . 0.0 109.143 -177.177 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 13.1 t -76.15 151.1 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -147.89 155.39 41.55 Favored 'General case' 0 N--CA 1.458 -0.058 0 CA-C-N 119.275 0.943 . . . . 0.0 113.391 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -128.82 159.88 34.34 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.408 1.083 . . . . 0.0 109.835 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HA3' ' A' ' 41' ' ' GLY . 29.0 m-70 -124.04 -2.88 8.13 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -125.76 134.6 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.25 -26.57 67.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -170.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.35 -39.85 64.87 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.355 0.98 . . . . 0.0 110.162 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.44 -26.91 34.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.46 -37.87 65.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.853 -0.158 . . . . 0.0 110.821 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.43 -36.08 76.31 Favored 'General case' 0 N--CA 1.457 -0.101 0 O-C-N 121.933 -0.479 . . . . 0.0 110.701 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -70.12 -38.01 75.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.881 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.23 71.19 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 119.464 -0.303 . . . . 0.0 111.403 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -93.35 -25.66 17.61 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 119.899 -0.72 . . . . 0.0 111.292 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.34 -8.8 56.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.299 0.24 . . . . 0.0 111.299 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.19 -10.0 2.94 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.7 mmt -112.07 -28.04 8.15 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.399 0.999 . . . . 0.0 112.818 174.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.44 116.11 4.06 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 120.008 1.276 . . . . 0.0 110.213 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.82 3.39 62.33 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.218 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.41 -176.01 1.42 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.154 0.977 . . . . 0.0 110.209 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.21 118.39 17.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.11 -56.69 6.94 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -151.05 -0.56 0.37 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.26 -6.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.352 -0.693 . . . . 0.0 113.684 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -118.43 -172.31 2.25 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-N 118.192 0.996 . . . . 0.0 109.224 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -95.4 169.13 10.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.638 0.256 . . . . 0.0 110.833 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.02 157.03 29.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -136.84 143.92 43.35 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -162.19 126.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -164.56 167.85 18.89 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.64 143.45 57.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.96 177.61 2.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.739 0.415 . . . . 0.0 111.322 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -136.01 -8.59 2.07 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 112.293 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -134.22 165.4 25.18 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.728 0.642 . . . . 0.0 110.051 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.99 10.6 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HA ' ' C5 ' ' B' ' 104' ' ' ' C' . 10.4 ptm180 -174.24 162.47 2.84 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.936 1.694 . . . . 0.0 106.455 174.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.577 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 44.5 Cg_endo -61.52 143.12 96.93 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 124.052 3.168 . . . . 0.0 110.969 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.26 -22.37 4.93 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.513 2.809 . . . . 0.0 114.176 -173.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -157.56 18.15 0.27 Allowed 'General case' 0 C--N 1.341 0.224 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -6.25 3.07 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -135.22 9.72 3.49 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.319 0.509 . . . . 0.0 111.269 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 52.93 -172.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.324 1.45 . . . . 0.0 113.438 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.439 -1.267 . . . . 0.0 110.109 -178.651 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 O4'-C1'-N19 111.044 2.844 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.564 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 112.043 -2.304 . 0.034 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.577 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 N19-C1'-C2' 107.043 -3.973 . 0.199 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.507 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.103 2 O4'-C1'-N19 116.996 8.796 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 109.925 -3.716 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O4'-C1'-N19 113.406 5.206 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 tpp . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -144.1 11.39 1.56 Allowed 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.342 0.657 . . . . 0.0 111.526 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -134.1 176.19 8.81 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 123.976 0.911 . . . . 0.0 109.692 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.91 175.01 36.78 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -60.39 154.42 53.89 Favored Pre-proline 0 N--CA 1.448 -0.558 0 C-N-CA 123.996 0.918 . . . . 0.0 111.947 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -71.09 163.88 37.67 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 124.643 3.562 . . . . 0.0 109.793 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.44 154.3 69.18 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.699 2.266 . . . . 0.0 110.396 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.59 19.42 1.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 124.44 3.427 . . . . 0.0 112.551 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -134.68 20.12 3.57 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.591 0.632 . . . . 0.0 111.795 -173.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.46 -20.85 21.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 O-C-N 121.756 -0.59 . . . . 0.0 110.448 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.16 1.01 12.17 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.783 0.833 . . . . 0.0 111.608 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.75 17.82 3.02 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 123.554 0.597 . . . . 0.0 111.652 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.1 mtm -143.72 174.51 10.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.784 0.833 . . . . 0.0 109.86 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -66.18 168.76 8.02 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -154.08 57.56 0.72 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.718 0.407 . . . . 0.0 110.652 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 21.6 tp -69.83 150.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.559 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 36.4 tttp -126.12 154.69 42.79 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.829 0.852 . . . . 0.0 109.945 174.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG22 HG22 ' A' ' 87' ' ' VAL . 71.6 t -136.57 136.55 48.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 124.306 1.042 . . . . 0.0 108.301 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.06 179.24 9.33 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 t30 84.38 18.46 0.17 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.83 2.052 . . . . 0.0 114.075 173.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.3 169.36 0.87 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -81.24 169.81 16.86 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -71.18 8.17 1.06 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.827 0.451 . . . . 0.0 111.653 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -130.55 -7.87 4.13 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.039 0.936 . . . . 0.0 111.989 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.3 m -71.02 162.75 28.9 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.982 0.356 . . . . 0.0 110.142 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -142.77 156.32 62.73 Favored Pre-proline 0 N--CA 1.455 -0.192 0 C-N-CA 123.203 0.601 . . . . 0.0 109.454 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.56 -17.85 29.67 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 122.841 2.361 . . . . 0.0 112.149 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -76.11 -31.05 58.49 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.33 -50.21 34.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.53 -31.85 73.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 123.311 0.382 . . . . 0.0 110.762 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.36 -48.01 83.27 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -81.28 -37.12 28.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.688 0.395 . . . . 0.0 111.061 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.09 -36.01 69.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 124.008 0.923 . . . . 0.0 111.419 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.4 m-85 -99.07 -11.71 21.21 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -64.85 -25.07 67.75 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.51 0.324 . . . . 0.0 111.534 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -76.12 -20.88 57.24 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.686 0.394 . . . . 0.0 111.988 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -77.15 -14.95 59.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 123.15 0.281 . . . . 0.0 110.826 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.1 -73.06 0.26 Allowed Glycine 0 C--N 1.341 0.849 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.483 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -150.21 101.68 3.02 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-O 122.167 0.984 . . . . 0.0 111.515 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.5 55.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.21 -17.63 4.15 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 124.544 1.069 . . . . 0.0 113.843 -174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -155.23 157.91 38.04 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.98 0.89 . . . . 0.0 109.76 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.39 131.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -146.51 156.53 43.33 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.8 mt -145.5 94.76 5.1 Favored Pre-proline 0 C--O 1.231 0.124 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' CE2' ' A' ' 57' ' ' PHE . 24.7 Cg_exo -63.19 -22.23 72.64 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 124.471 3.447 . . . . 0.0 116.946 -173.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? 32.07 -110.68 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.015 0.926 . . . . 0.0 109.223 -166.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -146.39 128.34 15.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 8.1 ptm180 -71.9 21.04 0.06 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -171.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -134.92 -7.02 2.38 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.014 0.526 . . . . 0.0 111.348 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.1 p -140.62 -29.43 0.68 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.233 0.613 . . . . 0.0 110.436 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp 48.54 33.48 4.12 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.056 1.743 . . . . 0.0 113.437 172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -135.83 11.61 3.39 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -60.3 -30.47 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.715 0.689 . . . . 0.0 111.654 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 24.33 75.37 0.02 OUTLIER 'General case' 0 C--N 1.342 0.241 0 C-N-CA 126.719 2.008 . . . . 0.0 113.83 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.49 -1.12 0.18 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.473 -0.626 . . . . 0.0 113.551 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 23.0 p90 -157.87 179.5 9.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.391 1.095 . . . . 0.0 109.958 177.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.88 -176.16 5.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.408 0.623 . . . . 0.0 111.279 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -149.05 56.11 1.0 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.48 1.512 . . . . 0.0 108.306 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 3.7 t -68.88 144.64 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 18.5 ttp180 -144.71 154.92 43.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -172.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.09 164.02 21.8 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.648 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.95 8.94 5.28 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -175.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.8 131.78 37.91 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -63.77 -34.71 78.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -69.03 -38.88 79.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.582 0.628 . . . . 0.0 110.644 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -77.12 -27.5 54.04 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -35.76 51.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.453 0.301 . . . . 0.0 111.539 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -71.19 -33.07 69.61 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.23 -0.294 . . . . 0.0 110.482 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -71.56 -38.21 71.0 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.385 174.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.24 -33.27 72.06 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 119.392 -0.337 . . . . 0.0 111.546 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -90.08 -28.42 19.02 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 118.589 0.632 . . . . 0.0 110.63 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.82 -8.56 44.64 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.883 -0.511 . . . . 0.0 111.294 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.47 -7.96 3.28 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.2 mmt -120.69 -24.98 5.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.81 0.732 . . . . 0.0 112.917 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.24 126.09 28.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 119.815 1.189 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.55 0.92 90.37 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 123.174 0.416 . . . . 0.0 112.324 178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.71 -178.77 0.99 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.477 0.638 . . . . 0.0 110.449 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.23 143.4 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.324 0.583 . . . . 0.0 111.022 -174.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 82' ' ' GLY . 67.1 tp -149.81 139.39 21.61 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.9 t70 54.68 0.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.654 1.582 . . . . 0.0 113.192 -176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.91 -1.6 31.74 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.849 -0.5 . . . . 0.0 111.849 177.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -94.6 -158.41 0.63 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 117.72 0.76 . . . . 0.0 109.813 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -113.7 166.65 11.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.6 152.32 51.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 16.8 mmt180 -140.19 141.21 35.98 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.859 0.361 . . . . 0.0 111.231 -170.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 75' ' ' MET . 48.3 t -151.43 124.1 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.03 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -163.31 166.17 23.35 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 123.039 0.536 . . . . 0.0 109.845 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.79 146.15 54.45 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.55 0.34 . . . . 0.0 110.714 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' N3 ' ' B' ' 103' ' ' ' C' . . . -71.23 177.55 3.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.577 0.751 . . . . 0.0 112.704 -175.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.09 175.3 9.7 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.726 1.21 . . . . 0.0 109.985 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 49.69 -159.84 0.06 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.806 0.842 . . . . 0.0 112.662 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.21 16.01 3.67 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 119.118 -0.823 . . . . 0.0 111.674 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 119.63 155.54 0.0 OUTLIER Pre-proline 0 C--N 1.343 0.31 0 C-N-CA 130.978 3.711 . . . . 0.0 109.315 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.602 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 86.3 Cg_exo -44.92 132.69 10.82 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 124.554 3.502 . . . . 0.0 113.087 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -81.43 -19.9 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.668 2.912 . . . . 0.0 113.039 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -159.03 10.9 0.14 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -72.97 -19.28 61.26 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.751 -0.593 . . . . 0.0 111.495 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -157.69 168.55 26.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -144.38 169.92 17.0 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 122.544 0.338 . . . . 0.0 111.24 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.321 -178.375 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.556 0 C1'-O4'-C4' 106.694 -3.229 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.559 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 111.579 -2.614 . 0.036 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.602 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 N19-C1'-C2' 107.461 -3.712 . 0.256 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.456 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 O4'-C1'-N19 115.106 6.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 0 C5'-C4'-O4' 112.581 2.415 . 0.132 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 O4'-C1'-N19 114.823 6.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -156.26 164.35 38.44 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.514 0.326 . . . . 0.0 110.266 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -145.26 179.51 7.34 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.214 0.606 . . . . 0.0 110.194 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.68 177.24 44.58 Favored Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -55.31 148.91 29.49 Favored Pre-proline 0 N--CA 1.448 -0.571 0 C-N-CA 123.739 0.815 . . . . 0.0 110.372 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 157.42 57.13 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 124.345 3.363 . . . . 0.0 111.213 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -53.73 157.95 9.15 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.936 3.091 . . . . 0.0 112.249 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -74.36 171.49 17.97 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.769 2.979 . . . . 0.0 111.036 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 56.08 17.62 2.77 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.018 1.327 . . . . 0.0 112.528 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.62 -13.36 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 122.059 -0.4 . . . . 0.0 111.254 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -72.49 -2.8 21.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.707 0.803 . . . . 0.0 111.452 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.35 36.03 1.3 Allowed Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.638 -174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.56 172.79 11.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.827 0.813 . . . . 0.0 110.406 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.1 m -56.37 -34.12 66.35 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.836 0.855 . . . . 0.0 112.631 -172.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.7 m 42.26 43.07 2.8 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.39 1.076 . . . . 0.0 113.208 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.4 tm? -69.72 114.26 7.76 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 11.1 pttp -104.03 169.49 8.47 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 97.6 t -138.81 139.05 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.091 0.956 . . . . 0.0 109.786 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -158.68 -174.65 4.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.432 1.093 . . . . 0.0 112.176 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 77.79 -4.61 2.23 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 127.167 2.187 . . . . 0.0 114.422 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -54.97 168.24 0.32 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 119.068 0.849 . . . . 0.0 111.777 176.09 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.5 p -70.08 163.35 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.248 0.546 . . . . 0.0 111.984 -173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -74.18 7.15 2.92 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.821 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -118.74 -14.83 9.51 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.057 0.943 . . . . 0.0 111.526 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 26' ' ' SER . 72.0 m -70.04 169.07 14.14 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 171.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 72.5 m -141.71 158.71 62.17 Favored Pre-proline 0 C--N 1.331 -0.2 0 C-N-CA 122.632 0.373 . . . . 0.0 110.287 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 57.6 Cg_endo -69.67 -21.59 33.68 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.973 2.449 . . . . 0.0 112.5 -174.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.49 -30.42 53.04 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -48.27 62.47 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.57 -30.13 71.29 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.239 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -60.89 -43.89 97.86 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -84.85 -39.02 18.79 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 117.932 0.333 . . . . 0.0 110.875 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.25 -32.01 43.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.729 0.812 . . . . 0.0 111.128 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.1 m-85 -108.05 -10.35 15.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.957 0.344 . . . . 0.0 111.727 -175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.21 -26.22 65.61 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 122.357 -0.214 . . . . 0.0 111.084 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.51 -19.76 63.72 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.03 -0.419 . . . . 0.0 111.798 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -80.5 -8.86 59.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.136 0.574 . . . . 0.0 111.009 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.73 -84.79 0.15 Allowed Glycine 0 C--N 1.338 0.681 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -152.63 126.64 9.07 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m -56.23 -20.49 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 119.407 -0.33 . . . . 0.0 111.81 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.64 -49.43 2.03 Favored Glycine 0 C--N 1.341 0.823 0 C-N-CA 124.98 1.276 . . . . 0.0 111.981 178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.69 163.13 29.94 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.029 0.932 . . . . 0.0 108.695 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.06 132.45 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -152.53 172.61 16.31 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.715 0.406 . . . . 0.0 111.283 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 47' ' ' ARG . 22.1 mt -140.54 101.8 6.63 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.31 12.69 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.378 1 C-N-CA 126.98 5.12 . . . . 0.0 116.408 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 45' ' ' ILE . 63.4 ttt180 -50.51 139.99 14.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.791 0.836 . . . . 0.0 109.61 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -52.49 136.4 32.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.0 0.428 . . . . 0.0 111.307 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -77.49 0.7 21.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.367 1.067 . . . . 0.0 112.756 -173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.25 -12.91 0.41 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -129.87 -13.26 4.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.112 0.415 . . . . 0.0 111.27 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 51.1 23.24 1.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 174.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.83 -0.06 41.69 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m -117.53 33.58 5.56 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -68.56 0.96 3.5 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.6 0.36 . . . . 0.0 111.17 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.51 -8.95 34.91 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.062 0.839 . . . . 0.0 114.148 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.449 ' CD1' " H2'" ' B' ' 102' ' ' ' U' . 11.4 p90 -158.73 -176.83 6.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 1.212 . . . . 0.0 110.682 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.85 -176.9 5.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.519 0.728 . . . . 0.0 110.446 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.6 OUTLIER -145.33 79.46 1.58 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.214 0.606 . . . . 0.0 110.371 -176.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 99.4 t -76.35 159.97 5.09 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 169.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -157.09 103.41 2.02 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.611 1.096 . . . . 0.0 112.477 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -79.28 164.86 23.79 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.978 0.511 . . . . 0.0 109.919 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -131.22 10.03 4.86 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -133.68 129.59 37.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -61.38 -32.44 72.37 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -170.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -73.39 -39.39 65.14 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.836 0.744 . . . . 0.0 110.631 -175.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -77.12 -29.71 54.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.05 71.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.206 0.602 . . . . 0.0 111.59 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.85 -34.37 73.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.741 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -72.39 -37.07 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.581 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.41 73.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.8 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -89.7 -29.06 19.02 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.497 0.589 . . . . 0.0 110.735 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.41 -9.87 51.37 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.875 0.307 . . . . 0.0 111.103 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.35 -7.11 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -122.97 -24.82 4.69 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 175.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.46 125.22 25.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 120.112 1.324 . . . . 0.0 109.859 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.77 0.79 88.69 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.226 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.51 -173.76 0.78 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.448 0.624 . . . . 0.0 111.071 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.0 145.65 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 123.404 0.682 . . . . 0.0 109.406 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 80' ' ' LEU . 3.1 tm? -105.52 -52.52 2.81 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.183 0.593 . . . . 0.0 109.801 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -142.57 -5.59 0.93 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.82 -14.42 0.34 Allowed Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.769 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -92.62 -157.44 0.53 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 117.522 0.661 . . . . 0.0 109.712 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -113.46 168.74 9.5 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.51 159.22 41.04 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -143.57 139.52 29.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.413 0.285 . . . . 0.0 110.598 -173.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.484 ' CG1' HD11 ' A' ' 16' ' ' LEU . 48.0 t -150.65 122.14 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -166.52 162.56 16.82 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 122.695 0.398 . . . . 0.0 110.708 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -62.88 151.66 38.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.932 0.493 . . . . 0.0 111.491 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.25 177.47 3.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -124.23 -12.22 7.39 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.75 0.82 . . . . 0.0 111.554 178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -152.27 172.18 16.83 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.497 0.719 . . . . 0.0 109.387 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.87 10.02 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -153.57 152.06 26.56 Favored Pre-proline 0 N--CA 1.448 -0.55 0 C-N-CA 125.966 1.707 . . . . 0.0 107.729 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.524 ' HD3' ' C6 ' ' B' ' 104' ' ' ' C' . 19.2 Cg_endo -56.01 132.49 52.29 Favored 'Trans proline' 0 N--CA 1.455 -0.774 1 C-N-CA 125.384 4.056 . . . . 0.0 110.486 176.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 71.1 Cg_exo -52.37 -30.59 43.85 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.753 2.969 . . . . 0.0 113.307 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -162.75 130.76 3.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.826 0.45 . . . . 0.0 110.251 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -167.57 -20.45 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.413 0.685 . . . . 0.0 111.087 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -153.44 34.07 0.46 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.022 0.929 . . . . 0.0 108.995 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -133.02 175.86 9.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.042 0.537 . . . . 0.0 111.238 -170.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.406 -1.283 . . . . 0.0 110.254 -179.138 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.449 " H2'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.411 -3.505 0 C3'-C2'-C1' 103.868 2.632 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.507 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-C3' 113.013 -1.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.524 ' C6 ' ' HD3' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 N19-C1'-C2' 105.773 -4.767 . 0.021 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 2 O4'-C1'-N19 117.024 8.824 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C3'-C2'-C1' 104.483 3.314 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 1 O4'-C1'-N19 114.663 6.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.533 0.206 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -142.65 5.8 1.6 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.733 0.413 . . . . 0.0 111.066 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -143.68 176.35 9.29 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 123.595 0.758 . . . . 0.0 109.63 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.38 169.44 42.56 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptm85 -53.07 151.23 9.26 Favored Pre-proline 0 N--CA 1.449 -0.518 0 C-N-CA 123.892 0.877 . . . . 0.0 111.091 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.6 152.37 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 124.274 3.316 . . . . 0.0 110.074 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.93 161.94 42.3 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.61 2.873 . . . . 0.0 111.302 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -81.79 178.53 6.43 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.148 3.232 . . . . 0.0 110.975 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 58.9 17.98 5.78 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.032 1.333 . . . . 0.0 113.317 173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.48 -19.36 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 122.029 -0.419 . . . . 0.0 110.729 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.26 -0.62 6.4 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.368 0.667 . . . . 0.0 111.427 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.83 22.27 3.14 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.08 0.848 . . . . 0.0 111.413 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.0 mtm -140.85 170.48 15.67 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.667 0.787 . . . . 0.0 109.969 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -64.62 163.61 13.41 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.952 0.501 . . . . 0.0 109.885 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 m -149.93 56.52 0.96 Allowed 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.782 0.433 . . . . 0.0 110.385 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 24.6 tp -70.0 147.37 50.2 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 28.8 tttp -126.39 156.29 40.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.665 0.603 . . . . 0.0 110.406 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 65.8 t -138.06 139.1 42.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 124.619 1.168 . . . . 0.0 109.145 -177.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -158.12 172.55 18.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.505 0.722 . . . . 0.0 112.085 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 103.97 20.05 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 128.41 2.684 . . . . 0.0 111.741 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 173.38 0.18 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.8 p -89.34 168.12 12.49 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 123.079 0.551 . . . . 0.0 110.973 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 6.94 0.85 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 111.666 176.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -128.71 -9.05 5.03 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.983 0.913 . . . . 0.0 111.816 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 26' ' ' SER . 89.5 m -67.51 163.32 21.35 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.672 0.389 . . . . 0.0 110.473 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.409 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 54.6 m -144.68 160.87 45.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 C-N-CA 123.953 0.901 . . . . 0.0 109.106 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 55.9 Cg_endo -69.14 -20.15 38.16 Favored 'Trans proline' 0 N--CA 1.45 -1.081 0 C-N-CA 122.196 1.931 . . . . 0.0 111.994 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.73 -32.74 35.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.75 0.704 . . . . 0.0 111.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -47.08 68.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.0 mt -66.16 -23.97 66.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.724 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -65.42 -41.23 93.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 122.055 -0.403 . . . . 0.0 110.104 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -84.75 -39.96 17.85 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 122.354 0.262 . . . . 0.0 110.747 -177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.03 -35.32 51.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 123.142 0.577 . . . . 0.0 111.41 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -100.11 -11.5 20.45 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.66 -29.0 67.75 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -73.75 -21.46 60.19 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -83.14 -17.32 43.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.29 0.236 . . . . 0.0 111.331 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.25 -159.01 27.04 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -61.19 87.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.398 1.479 . . . . 0.0 112.541 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -70.54 61.72 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 169.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.11 -14.22 31.26 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.037 1.303 . . . . 0.0 113.427 -174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 61' ' ' ARG . 2.8 t0 -151.21 162.94 39.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.765 0.782 . . . . 0.0 109.208 172.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 7.1 p -158.18 29.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -169.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.37 157.49 29.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -167.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.61 92.24 6.57 Favored Pre-proline 0 C--N 1.333 -0.11 0 C-N-CA 126.817 2.047 . . . . 0.0 106.155 173.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' CB ' " H5'" ' B' ' 104' ' ' ' C' . 26.2 Cg_exo -62.59 21.99 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.666 1 C-N-CA 125.37 4.047 . . . . 0.0 115.754 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -49.53 145.56 4.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.582 1.083 . . . . 0.0 109.269 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -40.65 121.98 1.57 Allowed 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.974 0.909 . . . . 0.0 111.988 -169.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 7.9 ptm180 -70.34 12.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -137.25 -19.43 1.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.7 p -141.47 -2.41 1.24 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 37.56 55.73 1.46 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.364 1.466 . . . . 0.0 113.33 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -119.73 19.82 12.43 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -128.65 32.68 4.77 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.897 0.479 . . . . 0.0 111.023 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.14 -4.72 0.85 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.77 1.228 . . . . 0.0 111.926 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.34 3.4 2.49 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.033 1.302 . . . . 0.0 114.757 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -153.8 172.95 16.54 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 119.175 1.488 . . . . 0.0 110.588 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.08 175.11 10.11 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.351 0.66 . . . . 0.0 111.424 -177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -152.6 62.04 0.81 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.309 1.443 . . . . 0.0 108.087 -177.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' VAL . 13.4 t -75.85 144.69 11.62 Favored 'Isoleucine or valine' 0 C--N 1.341 0.231 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . 22.3 ttp180 -144.94 157.92 43.98 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -126.94 159.07 35.13 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.137 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -126.89 14.37 7.41 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.132 0.573 . . . . 0.0 112.278 -174.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.93 136.61 35.64 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -63.74 -29.49 70.7 Favored 'General case' 0 CA--C 1.521 -0.142 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.92 -41.53 61.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.741 0.7 . . . . 0.0 110.099 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -73.14 -29.48 62.91 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.49 35.67 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.763 -0.586 . . . . 0.0 110.424 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.76 -38.6 64.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.493 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -34.14 72.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.534 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.35 -29.43 20.3 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 120.034 -0.666 . . . . 0.0 110.643 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.98 -8.26 47.52 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.236 -0.29 . . . . 0.0 111.248 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.34 -7.17 2.95 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB2' HG21 ' A' ' 87' ' ' VAL . 3.9 mmt -123.92 -16.53 6.57 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.49 58.71 1.04 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.722 1.147 . . . . 0.0 111.639 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.48 -4.7 0.42 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.904 0.764 . . . . 0.0 112.182 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -177.23 1.02 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.703 0.801 . . . . 0.0 111.972 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.8 t -131.88 135.77 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.807 0.843 . . . . 0.0 108.963 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tt -92.81 -50.74 5.42 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.643 0.377 . . . . 0.0 110.423 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -147.85 -1.78 0.57 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.967 0.507 . . . . 0.0 112.095 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.09 -6.26 0.16 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 118.75 0.705 . . . . 0.0 113.727 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -115.77 -165.93 1.09 Allowed 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.283 1.042 . . . . 0.0 109.19 176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.85 168.0 9.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -173.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.5 mt -129.5 157.85 40.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -135.38 136.51 41.51 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG21 ' HB2' ' A' ' 75' ' ' MET . 55.5 t -148.18 119.79 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -160.61 168.38 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.041 0.536 . . . . 0.0 109.818 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.3 mmt -64.98 149.4 49.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.103 0.478 . . . . 0.0 111.418 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.32 -176.8 5.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.523 0.729 . . . . 0.0 112.395 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.453 ' HG2' ' C2 ' ' B' ' 103' ' ' ' C' . 39.2 ptt180 -139.85 177.33 8.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.02 0.928 . . . . 0.0 110.491 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 50.87 -163.05 0.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.973 0.909 . . . . 0.0 112.178 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.67 -33.76 0.37 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.97 146.1 11.89 Favored Pre-proline 0 N--CA 1.44 -0.961 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 169.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 30.6 Cg_endo -58.0 117.18 3.85 Favored 'Trans proline' 0 N--CA 1.453 -0.856 1 C-N-CA 125.743 4.295 . . . . 0.0 111.097 174.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.61 -1.16 11.36 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 124.149 3.233 . . . . 0.0 112.066 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -120.88 25.01 9.93 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.474 0.71 . . . . 0.0 111.065 -174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.8 m -142.86 164.02 31.23 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.758 0.423 . . . . 0.0 111.003 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 48.39 38.64 10.99 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 113.063 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -65.19 -12.31 49.94 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.747 -0.596 . . . . 0.0 110.921 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 C--O 1.252 1.236 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.479 179.42 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 1 O4'-C1'-N19 113.455 5.255 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.453 ' C2 ' ' HG2' ' A' ' 91' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 C5'-C4'-C3' 111.935 -2.377 . 0.405 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.6 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.389 1 N19-C1'-C2' 106.326 -4.421 . 0.226 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.601 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.781 2 O4'-C1'-N19 115.203 7.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C3'-C2'-C1' 104.939 3.822 . 0.145 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 1 O4'-C1'-N19 114.154 5.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.651 -0.129 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -138.65 21.9 2.7 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.004 0.522 . . . . 0.0 111.237 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -137.41 171.39 14.55 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.051 0.54 . . . . 0.0 110.149 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.89 170.09 39.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.4 ptm180 -64.94 150.05 95.67 Favored Pre-proline 0 N--CA 1.452 -0.367 0 C-N-CA 123.577 0.751 . . . . 0.0 111.245 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 50.6 Cg_exo -54.16 160.19 6.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.926 3.751 . . . . 0.0 112.323 173.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.88 158.32 57.19 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.546 2.164 . . . . 0.0 110.193 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.55 20.64 0.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 124.952 3.768 . . . . 0.0 113.037 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.26 11.42 3.54 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.832 0.742 . . . . 0.0 111.972 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.92 -11.46 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.859 -0.525 . . . . 0.0 111.521 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.58 -0.49 26.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.965 0.506 . . . . 0.0 111.459 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 30.56 0.44 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -143.4 162.92 34.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.227 0.611 . . . . 0.0 109.927 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.9 m -56.27 152.25 11.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.076 0.55 . . . . 0.0 110.779 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 m -149.0 53.23 0.97 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 123.491 0.716 . . . . 0.0 110.058 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 87' ' ' VAL . 2.8 tm? -68.77 98.59 0.93 Allowed 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 123.553 0.741 . . . . 0.0 109.895 -176.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 40.4 tttp -81.07 155.24 26.41 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.497 0.719 . . . . 0.0 111.411 -178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 71.9 t -135.48 136.03 51.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.599 1.16 . . . . 0.0 108.738 176.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -157.32 -178.31 7.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.885 0.874 . . . . 0.0 112.721 -174.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 t30 82.67 1.17 1.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 127.35 2.26 . . . . 0.0 114.456 174.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.907 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.47 173.53 0.26 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.749 0.82 . . . . 0.0 112.952 176.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 p -71.28 167.97 18.32 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 121.785 0.803 . . . . 0.0 112.586 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -76.33 11.19 1.64 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.138 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -127.6 -10.51 5.62 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.839 0.856 . . . . 0.0 111.55 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -69.05 164.7 21.84 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 64.4 m -138.39 163.26 48.48 Favored Pre-proline 0 CA--C 1.529 0.142 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 66.6 Cg_endo -71.44 -21.19 26.5 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 121.857 1.705 . . . . 0.0 110.943 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -74.25 -33.33 63.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.316 -0.24 . . . . 0.0 110.947 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -38.02 61.93 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.8 mt -71.82 -39.76 69.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.38 -44.11 68.36 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -71.1 -55.71 7.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 34' ' ' PHE . 13.6 p -66.88 -25.97 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -173.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.542 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 43.5 m-85 -89.5 -14.86 34.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.991 0.36 . . . . 0.0 111.025 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -59.22 -22.14 60.61 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -85.3 -20.85 29.39 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.844 -0.535 . . . . 0.0 112.083 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -82.22 -18.79 41.34 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 122.292 0.237 . . . . 0.0 110.548 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.23 -157.02 27.26 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-O 122.082 0.823 . . . . 0.0 111.216 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -67.11 86.87 0.15 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 112.044 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.0 p -71.87 53.91 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 167.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.99 -13.29 13.54 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.04 1.305 . . . . 0.0 113.753 -171.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -154.89 154.69 33.06 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.407 1.104 . . . . 0.0 109.261 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.01 132.43 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -146.67 161.2 41.07 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.3 mt -145.77 90.98 5.75 Favored Pre-proline 0 C--O 1.232 0.157 0 N-CA-C 106.468 -1.678 . . . . 0.0 106.468 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.0 -28.11 85.79 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.632 2.888 . . . . 0.0 114.414 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.544 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 30.6 ptt180 21.91 -101.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.114 1.766 . . . . 0.0 110.985 -172.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.544 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 14.2 m-20 -143.1 127.01 17.24 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 169.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -70.32 8.36 0.81 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -143.66 -14.06 0.66 Allowed 'General case' 0 C--N 1.339 0.128 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 46.9 p -138.76 -5.27 1.53 Allowed 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 38.37 28.23 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.471 1.908 . . . . 0.0 115.296 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -86.43 12.01 11.18 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 56' ' ' GLY . 42.9 m -132.68 37.3 3.48 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.211 0.459 . . . . 0.0 112.006 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -65.48 8.24 0.18 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.898 0.879 . . . . 0.0 112.606 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -72.14 8.38 6.66 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.297 0.951 . . . . 0.0 113.684 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 11.3 p90 -157.44 177.22 11.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.449 1.124 . . . . 0.0 110.431 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.1 -173.47 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.051 0.54 . . . . 0.0 110.895 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.58 58.46 1.06 Allowed 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.447 1.499 . . . . 0.0 107.634 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 15.4 t -66.72 148.73 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 174.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 16.1 ttp180 -143.68 143.78 31.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 119.057 0.844 . . . . 0.0 113.076 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -115.79 156.94 25.14 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.633 172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -122.52 13.14 10.12 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.563 0.745 . . . . 0.0 112.462 -172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -140.74 136.02 32.13 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.86 -23.0 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.14 -40.54 67.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 119.276 0.943 . . . . 0.0 109.94 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.36 -30.71 60.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.1 74.91 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.724 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.07 -33.26 71.68 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -73.22 -39.52 65.45 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.54 0.609 . . . . 0.0 110.689 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.76 72.72 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.956 -177.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -87.99 -28.41 21.45 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.639 0.654 . . . . 0.0 110.547 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.39 -9.18 52.39 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.377 -0.202 . . . . 0.0 111.254 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.3 -4.49 3.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.489 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.4 mmt -124.35 -22.89 4.6 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.086 0.857 . . . . 0.0 113.213 174.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.57 125.71 27.04 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 119.942 1.246 . . . . 0.0 109.818 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.8 3.45 83.93 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 119.817 -0.435 . . . . 0.0 112.118 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 -177.08 1.3 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.684 0.742 . . . . 0.0 111.522 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.1 t -141.1 148.24 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 108.997 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -139.71 -7.39 1.27 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 176.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -155.85 7.97 0.24 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.341 0.518 . . . . 0.0 112.211 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.9 36.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -112.67 -149.98 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.552 0.741 . . . . 0.0 109.034 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -124.49 164.94 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.401 0.68 . . . . 0.0 109.479 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.428 HD21 HD22 ' A' ' 80' ' ' LEU . 88.7 mt -136.05 156.27 48.97 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -141.83 142.67 33.16 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.065 0.459 . . . . 0.0 111.227 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.527 ' CG1' HD11 ' A' ' 16' ' ' LEU . 57.2 t -152.82 123.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.598 -178.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -167.55 162.77 14.51 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 122.598 0.359 . . . . 0.0 110.111 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.0 151.81 41.84 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.825 0.345 . . . . 0.0 110.572 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.2 172.9 2.77 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.65 0.38 . . . . 0.0 111.253 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -135.95 -5.77 2.15 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -132.34 174.71 9.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.537 0.735 . . . . 0.0 110.445 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.39 11.51 26.14 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.744 -1.031 . . . . 0.0 111.981 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 118.3 154.17 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.278 0 C-N-CA 130.511 3.524 . . . . 0.0 109.696 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.518 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 50.2 Cg_exo -47.61 128.74 15.9 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 124.47 3.447 . . . . 0.0 111.642 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -79.13 -11.7 14.7 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.347 2.698 . . . . 0.0 111.973 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -157.28 31.35 0.29 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.826 0.45 . . . . 0.0 110.696 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.9 p 38.55 -112.47 0.11 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.494 1.117 . . . . 0.0 111.57 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -150.67 11.31 0.67 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.613 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -152.3 171.64 17.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.203 0.601 . . . . 0.0 110.661 -175.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.087 -179.782 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.491 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 O4'-C1'-N19 114.665 6.465 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.486 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C5'-C4'-C3' 112.031 -2.312 . 0.546 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.518 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 N19-C1'-C2' 106.18 -4.512 . 0.28 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 2 O4'-C1'-N19 117.787 9.587 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C3'-C2'-C1' 104.734 3.593 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 113.494 5.294 . 0.022 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.577 0.227 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -159.52 -175.11 5.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.5 171.56 14.08 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.821 0.82 . . . . 0.0 111.923 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 19.07 0.37 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -152.02 131.46 6.8 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.9 120.17 5.68 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.445 2.764 . . . . 0.0 112.12 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -82.1 169.09 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.865 3.043 . . . . 0.0 109.87 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.52 156.85 60.5 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.234 2.623 . . . . 0.0 109.549 173.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -154.96 11.48 0.36 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.62 -2.89 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -71.0 -9.58 58.26 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.578 -0.701 . . . . 0.0 112.022 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.62 28.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.555 -0.58 . . . . 0.0 111.662 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -138.09 -175.48 4.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.162 0.585 . . . . 0.0 110.688 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -123.29 -173.07 2.64 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.056 0.942 . . . . 0.0 108.696 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.8 p -149.24 126.58 11.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.922 -0.487 . . . . 0.0 110.805 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -125.25 111.9 15.78 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.171 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 50.5 tttp -77.77 142.52 38.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 123.82 0.7 . . . . 0.0 111.291 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 60' ' ' VAL . 50.3 t -128.14 134.4 65.12 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -152.15 -172.79 4.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.577 1.151 . . . . 0.0 112.3 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 61.49 89.85 0.07 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 112.499 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.8 pp -139.4 171.85 13.66 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.932 0.493 . . . . 0.0 112.002 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.0 p -67.02 164.38 17.9 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 121.188 0.518 . . . . 0.0 111.572 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.48 12.14 0.38 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 0.0 111.295 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -128.13 -16.73 4.47 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 123.253 0.621 . . . . 0.0 112.311 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.7 m -65.16 160.72 20.64 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.571 0.623 . . . . 0.0 109.59 174.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.458 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 11.7 p -141.98 167.49 16.57 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.609 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 59.0 Cg_endo -68.79 -19.27 41.23 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.386 2.058 . . . . 0.0 111.6 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.17 -32.17 44.14 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -52.7 39.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 21' ' ' LEU . 60.2 mt -61.83 -35.04 77.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.5 tpt180 -57.96 -42.95 86.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -86.07 -37.43 18.87 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 122.985 0.514 . . . . 0.0 111.668 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.9 -33.86 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 C-N-CA 124.134 0.974 . . . . 0.0 110.828 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 41.3 m-85 -106.43 -11.13 16.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.569 0.348 . . . . 0.0 111.864 -174.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' ARG . 23.1 tt0 -69.07 -20.85 64.1 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.231 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.06 -18.97 62.54 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 122.062 -0.399 . . . . 0.0 111.746 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.41 -16.87 35.9 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.702 0.801 . . . . 0.0 110.97 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.73 -172.58 23.56 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -66.99 113.02 4.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.25 -6.47 3.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.439 ' CA ' ' CD2' ' A' ' 63' ' ' HIS . . . 69.49 -60.96 0.64 Allowed Glycine 0 CA--C 1.527 0.801 0 C-N-CA 125.814 1.674 . . . . 0.0 113.313 174.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -152.45 169.84 21.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.311 0.644 . . . . 0.0 109.495 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.0 t -143.91 137.25 24.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.442 ' CD2' " H1'" ' B' ' 104' ' ' ' C' . 40.3 t80 -151.62 163.16 39.68 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.17 176.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.2 mt -144.33 100.43 4.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -54.65 20.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 1 C-N-CA 126.923 5.082 . . . . 0.0 116.877 175.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -47.1 122.72 4.68 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.68 131.95 25.81 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.113 0.482 . . . . 0.0 111.125 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 50.0 ttt-85 -67.07 -4.92 11.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.802 1.241 . . . . 0.0 113.692 -171.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -144.0 -11.1 0.66 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -135.52 -4.0 2.33 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 118.422 0.555 . . . . 0.0 111.814 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 46.88 19.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.612 1.565 . . . . 0.0 114.829 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 15.58 0.1 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -134.58 17.91 3.61 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.488 0.585 . . . . 0.0 111.297 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -11.52 27.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.981 0.913 . . . . 0.0 111.937 177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.97 4.23 58.48 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.161 -0.8 . . . . 0.0 114.373 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -154.74 -175.13 5.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 119.083 1.442 . . . . 0.0 110.974 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.2 -176.72 5.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.247 0.546 . . . . 0.0 111.882 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.47 71.51 0.94 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 109.235 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 18' ' ' VAL . 1.3 m -69.32 163.05 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 170.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -147.57 84.95 1.56 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.858 0.754 . . . . 0.0 112.689 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -62.75 148.13 47.67 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' CD2' ' CA ' ' A' ' 41' ' ' GLY . 53.3 m-70 -104.77 -8.66 18.64 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.923 0.765 . . . . 0.0 112.258 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -127.45 132.01 50.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.431 0.634 . . . . 0.0 109.774 -175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -67.89 -27.14 66.4 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.569 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -71.18 -43.11 68.1 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 118.618 0.645 . . . . 0.0 110.186 -178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -71.85 -28.46 63.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.27 -40.7 43.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.52 -32.19 71.97 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.832 -0.542 . . . . 0.0 110.857 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -73.44 -39.26 65.13 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.377 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.291 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -88.57 -28.17 20.9 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.515 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -71.75 -10.0 59.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.097 0.159 . . . . 0.0 111.371 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.29 -6.7 4.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.481 ' HB2' HG21 ' A' ' 87' ' ' VAL . 4.9 mmt -119.95 -23.35 6.42 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -67.01 122.19 17.21 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 120.177 1.353 . . . . 0.0 110.21 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.34 3.09 81.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 123.226 0.441 . . . . 0.0 112.112 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.32 -173.47 1.71 Allowed 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.502 0.651 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.8 t -137.65 147.58 26.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.793 0.837 . . . . 0.0 109.993 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 82' ' ' GLY . 19.2 tp -148.37 119.76 7.89 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.348 1.059 . . . . 0.0 108.285 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t70 62.7 -11.26 0.08 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.855 0.862 . . . . 0.0 112.906 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 131.84 -3.56 5.32 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 118.476 0.58 . . . . 0.0 111.975 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.468 ' HD2' HD21 ' A' ' 85' ' ' LEU . 18.4 ptp180 -74.93 -163.75 0.24 Allowed 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 124.46 1.104 . . . . 0.0 111.743 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.94 158.08 29.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 83' ' ' ARG . 75.7 mt -132.52 150.4 52.16 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -176.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 27.1 mmt180 -142.85 135.13 27.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.175 0.59 . . . . 0.0 110.215 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -151.77 124.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 123.848 0.859 . . . . 0.0 108.741 -177.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -163.02 165.15 25.18 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.37 145.98 52.5 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.49 0.316 . . . . 0.0 110.315 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.94 9.85 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 111.371 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -146.11 -175.57 4.81 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.374 0.669 . . . . 0.0 110.94 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 56.26 -169.62 0.09 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.689 1.195 . . . . 0.0 112.91 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.92 43.16 1.3 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.894 -1.283 . . . . 0.0 109.894 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 67.03 151.85 0.12 Allowed Pre-proline 0 CA--C 1.535 0.397 0 C-N-CA 126.523 1.929 . . . . 0.0 112.486 -174.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 50.0 Cg_exo -49.23 120.55 5.75 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 125.3 4.0 . . . . 0.0 112.565 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -85.0 -15.73 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.452 2.768 . . . . 0.0 113.128 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -155.27 15.89 0.4 Allowed 'General case' 0 C--O 1.231 0.12 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.4 m -79.37 -4.46 51.06 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -153.69 6.53 0.34 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -6.91 34.94 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.124 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 2 O4'-C1'-N19 114.297 6.097 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C3'-C2'-C1' 103.91 2.677 . 0.164 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.573 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 C5'-C4'-C3' 110.053 -3.631 . 0.455 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.502 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.804 5.604 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 N19-C1'-C2' 107.717 -3.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 1 O4'-C1'-N19 113.515 5.315 . 0.431 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.407 0.146 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -142.92 9.96 1.75 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.214 0.605 . . . . 0.0 111.544 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 53.96 -173.87 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.579 1.152 . . . . 0.0 112.939 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.64 169.8 42.81 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -56.52 152.51 24.64 Favored Pre-proline 0 N--CA 1.45 -0.455 0 C-N-CA 123.66 0.784 . . . . 0.0 111.097 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.19 159.69 52.21 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 124.403 3.402 . . . . 0.0 110.466 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.06 153.16 12.91 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.654 2.903 . . . . 0.0 112.488 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.25 9.71 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 124.237 3.292 . . . . 0.0 112.193 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 11' ' ' GLU . 27.1 t0 -139.27 24.22 2.51 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.773 -0.579 . . . . 0.0 111.527 -173.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 m -66.0 12.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 123.164 0.585 . . . . 0.0 112.057 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 9' ' ' ASP . 37.1 mt-10 -124.68 11.21 8.47 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.783 0.833 . . . . 0.0 109.793 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.32 17.9 2.09 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.075 0.845 . . . . 0.0 111.509 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.3 mtm -140.34 172.6 12.5 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.713 0.805 . . . . 0.0 110.014 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.6 m -63.52 159.25 19.03 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -150.76 125.75 9.84 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 98.17 5.01 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.175 0.297 . . . . 0.0 110.917 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 51.0 tttp -66.37 148.98 51.08 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.851 0.86 . . . . 0.0 111.031 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.406 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.5 t -133.66 131.87 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.89 -169.28 3.29 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.456 1.102 . . . . 0.0 111.101 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 53.7 98.34 0.01 OUTLIER 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.383 1.473 . . . . 0.0 111.975 -170.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 pp -146.22 175.25 10.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.461 0.704 . . . . 0.0 110.96 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -83.28 168.91 16.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.404 0.621 . . . . 0.0 111.538 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -71.29 8.22 1.08 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.26 0.624 . . . . 0.0 111.229 175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.62 -8.88 5.64 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 111.925 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m -68.37 161.83 26.63 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.5 m -142.78 161.02 51.28 Favored Pre-proline 0 C--N 1.332 -0.159 0 C-N-CA 122.671 0.388 . . . . 0.0 110.098 -176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.39 -21.11 35.69 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.786 1.657 . . . . 0.0 111.376 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -72.32 -36.28 68.84 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 117.943 0.338 . . . . 0.0 110.562 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -66.86 -52.49 42.89 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 176.285 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 mt -58.24 -30.09 66.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.536 -173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.26 -47.03 86.16 Favored 'General case' 0 C--O 1.225 -0.229 0 O-C-N 122.052 -0.405 . . . . 0.0 110.147 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.663 0.665 . . . . 0.0 112.401 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 30' ' ' LEU . 14.9 m -63.76 -24.44 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 C-N-CA 123.646 0.778 . . . . 0.0 111.526 -178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' HG23 ' A' ' 33' ' ' VAL . 47.3 m-85 -102.86 -16.89 15.76 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.85 -24.79 67.88 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.271 0.941 . . . . 0.0 111.292 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -68.25 -19.7 64.75 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -80.69 -11.72 59.58 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 122.975 0.51 . . . . 0.0 111.135 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.11 -82.3 0.15 Allowed Glycine 0 C--N 1.336 0.574 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -159.05 123.99 4.15 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 173.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.57 -21.45 15.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.677 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.73 -49.65 1.38 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.993 1.282 . . . . 0.0 112.103 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -155.46 158.98 39.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.724 1.21 . . . . 0.0 107.974 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.83 116.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -143.88 159.01 43.3 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.4 mt -144.21 94.37 5.77 Favored Pre-proline 0 CA--C 1.53 0.208 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 174.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 61.7 Cg_endo -79.79 18.19 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 124.636 3.558 . . . . 0.0 113.248 -174.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 19.7 ptt180 -31.06 -66.51 0.11 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.354 1.462 . . . . 0.0 113.508 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.0 t70 -160.86 128.48 4.32 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 169.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.549 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 4.5 ptm180 -74.65 9.17 1.92 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -173.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -138.05 -22.77 1.05 Allowed 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.9 0.773 . . . . 0.0 112.864 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -133.54 -12.31 2.7 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -174.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 43.15 39.72 2.06 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.082 1.353 . . . . 0.0 114.165 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -89.01 -23.36 22.63 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 m -82.26 40.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 111.991 -175.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -58.95 0.18 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.355 1.462 . . . . 0.0 113.365 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.09 -1.81 28.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.26 -0.9 . . . . 0.0 114.858 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -154.07 -176.32 5.8 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.301 1.551 . . . . 0.0 112.322 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.69 -178.65 7.0 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.632 0.773 . . . . 0.0 111.171 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.442 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.8 OUTLIER -153.66 63.37 0.73 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.294 1.438 . . . . 0.0 109.06 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 17.1 t -69.42 150.04 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 169.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -145.5 104.17 3.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 119.838 1.199 . . . . 0.0 111.931 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -72.98 164.25 26.96 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -128.93 5.58 5.42 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -132.39 131.36 41.75 Favored 'General case' 0 C--N 1.339 0.128 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.11 -30.19 71.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -171.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -71.68 -43.34 66.18 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.763 0.71 . . . . 0.0 110.158 -174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -77.0 -24.76 52.18 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.75 39.75 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 122.342 0.257 . . . . 0.0 111.502 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.67 -32.01 71.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.431 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -73.78 -38.8 64.54 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.933 174.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.06 -34.23 74.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 122.404 -0.185 . . . . 0.0 111.11 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -87.84 -29.08 21.21 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.06 -10.25 58.08 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.221 0.209 . . . . 0.0 111.127 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.46 -7.55 4.69 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.8 mmt -119.65 -24.01 6.37 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -67.59 125.42 26.11 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 119.909 1.231 . . . . 0.0 109.746 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.78 1.62 84.29 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.508 -0.607 . . . . 0.0 112.532 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.27 -173.24 1.05 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 117.717 0.758 . . . . 0.0 111.257 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -134.52 145.16 33.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.139 0 C-N-CA 123.618 0.767 . . . . 0.0 109.04 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.95 -57.42 2.19 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 122.927 0.491 . . . . 0.0 110.83 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -131.54 -4.86 3.72 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.95 -15.26 0.9 Allowed Glycine 0 CA--C 1.529 0.912 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -91.43 -158.15 0.55 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 117.572 0.686 . . . . 0.0 109.681 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -113.77 166.73 11.27 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.0 mt -131.72 155.49 47.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -140.95 139.62 34.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.024 0.44 . . . . 0.0 111.157 -175.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -152.11 124.67 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 114.935 -1.029 . . . . 0.0 108.231 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -161.92 166.49 26.1 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 117.745 0.248 . . . . 0.0 110.895 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.09 147.8 51.34 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.26 0.224 . . . . 0.0 110.588 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.61 176.64 7.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.253 0.221 . . . . 0.0 110.726 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -132.66 -7.59 3.21 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -134.37 174.43 10.53 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.447 0.699 . . . . 0.0 109.875 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.19 -44.69 2.33 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -175.1 153.26 1.55 Allowed Pre-proline 0 N--CA 1.451 -0.421 0 C-N-CA 125.418 1.487 . . . . 0.0 107.634 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.636 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 33.5 Cg_endo -60.05 148.34 89.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 1 C-N-CA 125.495 4.13 . . . . 0.0 112.285 178.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.97 -9.94 16.72 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 124.275 3.317 . . . . 0.0 112.254 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -154.61 158.98 40.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.229 0.612 . . . . 0.0 109.697 -177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 14.2 m -83.05 34.52 0.46 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 56.68 32.46 21.14 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 98' ' ' SER . 44.1 m80 -63.54 -9.94 15.64 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.162 -0.336 . . . . 0.0 111.486 176.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.125 -1.417 . . . . 0.0 110.815 178.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 113.806 5.606 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 C5'-C4'-C3' 112.228 -2.182 . 0.014 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.636 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 N19-C1'-C2' 106.714 -4.179 . 0.332 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.549 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 113.204 5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C3'-C2'-C1' 104.337 3.152 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 1 O4'-C1'-N19 114.347 6.147 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -155.97 168.4 27.37 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.995 0.518 . . . . 0.0 110.008 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -140.21 175.72 9.36 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.276 0.63 . . . . 0.0 110.481 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.01 175.09 36.86 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 -176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -56.54 153.99 18.82 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 124.093 0.957 . . . . 0.0 112.451 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.8 157.8 5.22 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 124.749 3.633 . . . . 0.0 112.014 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.94 160.54 4.05 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 124.164 3.243 . . . . 0.0 112.124 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.75 167.29 26.97 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.008 2.472 . . . . 0.0 110.067 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 54.82 21.1 3.39 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.558 1.143 . . . . 0.0 112.362 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.6 -19.32 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.748 0.308 . . . . 0.0 111.439 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.97 1.61 8.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 0.0 111.238 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.89 22.01 3.49 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.04 0.828 . . . . 0.0 111.956 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.6 mtm -137.9 165.22 27.05 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.202 0.601 . . . . 0.0 110.359 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 t -75.68 175.61 8.47 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.769 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.45 132.51 17.25 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.029 0.931 . . . . 0.0 108.699 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 10.7 tp -130.12 95.96 4.06 Favored 'General case' 0 N--CA 1.458 -0.069 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.932 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -66.52 150.65 48.65 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.791 1.236 . . . . 0.0 111.349 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 95.1 t -135.47 138.21 48.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.55 1.14 . . . . 0.0 108.69 175.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.95 -178.83 7.51 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.551 0.74 . . . . 0.0 112.715 -173.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 80.82 13.6 0.75 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.386 1.874 . . . . 0.0 114.549 174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -59.06 176.7 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.107 0.867 . . . . 0.0 112.35 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 p -82.24 172.06 13.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.288 0.566 . . . . 0.0 111.886 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -79.73 9.83 4.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.513 0.725 . . . . 0.0 110.699 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -126.02 -16.74 5.5 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.69 0.796 . . . . 0.0 112.046 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.1 m -78.27 164.7 24.65 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -137.22 159.92 67.8 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -65.59 -17.22 56.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.62 2.213 . . . . 0.0 111.944 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -79.01 -32.68 45.19 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -47.86 66.61 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.9 -29.39 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.49 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.8 tpt85 -63.33 -41.6 98.9 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -84.65 -38.74 19.45 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 122.049 -0.407 . . . . 0.0 110.819 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.3 -33.83 55.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 123.792 0.837 . . . . 0.0 111.407 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 32.1 m-85 -101.98 -11.08 19.21 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.085 0.402 . . . . 0.0 111.876 -176.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.51 -30.34 70.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.5 -20.7 61.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.51 -13.7 59.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.486 -0.293 . . . . 0.0 110.911 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.01 -62.73 0.47 Allowed Glycine 0 C--N 1.339 0.71 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.941 169.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -152.27 93.68 1.84 Allowed 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 122.049 0.928 . . . . 0.0 112.389 -176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -78.31 63.56 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -43.56 -32.82 2.08 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 124.721 1.153 . . . . 0.0 111.982 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.03 171.17 16.87 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.391 0.595 . . . . 0.0 109.872 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.79 138.56 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.434 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -147.13 166.85 25.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.318 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 47' ' ' ARG . 23.0 mt -140.96 102.26 6.3 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.7 16.48 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.4 1 C-N-CA 126.634 4.89 . . . . 0.0 116.435 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 45' ' ' ILE . 56.2 ttp180 -48.61 131.5 17.61 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.96 128.73 28.21 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.058 0.456 . . . . 0.0 110.672 -174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -75.55 5.8 5.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.615 1.166 . . . . 0.0 113.162 -171.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -140.65 -16.54 0.9 Allowed 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.0 p -136.66 -5.05 1.99 Allowed 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.172 0.442 . . . . 0.0 111.886 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 46.45 24.99 0.34 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.421 1.488 . . . . 0.0 114.171 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.18 13.28 1.52 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -132.16 25.16 4.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.618 0.644 . . . . 0.0 111.48 -174.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -70.36 2.76 3.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.535 1.134 . . . . 0.0 112.882 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.09 -1.56 90.03 Favored Glycine 0 CA--C 1.527 0.831 0 CA-C-O 118.942 -0.921 . . . . 0.0 113.934 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.447 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 33.3 p90 -156.11 -176.05 5.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.937 1.368 . . . . 0.0 111.262 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.02 -176.41 4.99 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.201 0.601 . . . . 0.0 112.02 -176.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.4 OUTLIER -147.3 59.33 1.16 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.319 1.448 . . . . 0.0 108.941 -177.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 12.7 t -68.17 152.27 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 173.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 14.0 ttp-105 -143.89 141.36 30.25 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -108.31 165.63 11.36 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.876 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -135.27 13.13 3.54 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 123.478 0.711 . . . . 0.0 112.518 -173.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -139.52 135.88 33.92 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.16 -36.24 79.27 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -70.34 -41.61 72.97 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.652 0.66 . . . . 0.0 110.188 -173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -77.44 -27.66 52.27 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.76 -36.55 50.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.14 -32.98 71.23 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.011 0.368 . . . . 0.0 110.528 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -73.02 -38.78 66.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.433 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.65 -31.87 71.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.385 -0.34 . . . . 0.0 111.789 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -91.79 -26.44 18.55 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.989 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.08 -7.23 47.75 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.326 0.25 . . . . 0.0 111.086 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.27 -7.35 2.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.9 mmt -120.45 -22.5 6.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 118.947 0.794 . . . . 0.0 112.829 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.29 126.52 28.46 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.003 1.274 . . . . 0.0 109.888 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.82 3.25 83.71 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-O 119.799 -0.445 . . . . 0.0 112.301 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.02 -175.36 0.92 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.714 0.757 . . . . 0.0 111.031 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.74 146.24 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.409 0.684 . . . . 0.0 109.176 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -108.15 -52.7 2.73 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.677 0.391 . . . . 0.0 109.958 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.73 -3.51 1.28 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.95 -16.21 0.61 Allowed Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.541 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -93.64 -160.88 0.8 Allowed 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.778 0.789 . . . . 0.0 109.668 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -109.94 168.3 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.93 155.47 50.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -141.65 148.72 39.61 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.305 0.574 . . . . 0.0 110.805 -173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -164.28 131.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.495 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -165.36 169.71 15.44 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.388 0.675 . . . . 0.0 109.836 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.6 mmt -64.11 151.44 43.17 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.776 0.322 . . . . 0.0 110.664 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.84 175.19 5.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.842 0.457 . . . . 0.0 111.573 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -125.85 -8.14 6.68 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 123.235 0.614 . . . . 0.0 112.195 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -150.18 176.68 10.62 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-N 118.318 0.508 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.46 20.45 20.79 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.4 mtm105 117.75 147.38 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.227 0 C-N-CA 131.307 3.843 . . . . 0.0 109.387 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.534 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 32.5 Cg_endo -60.21 143.28 99.53 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 124.528 3.485 . . . . 0.0 110.734 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 62.0 Cg_exo -53.44 -26.78 37.16 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 124.28 3.32 . . . . 0.0 113.81 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -155.88 170.35 22.3 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 m -49.03 -49.56 40.58 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -170.77 29.35 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 122.532 0.333 . . . . 0.0 110.341 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -132.95 5.13 3.86 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -170.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.253 1.239 0 CA-C-O 117.319 -1.325 . . . . 0.0 110.283 179.673 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.447 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.416 -3.085 1 O4'-C1'-N19 112.948 4.748 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 C5'-C4'-C3' 106.398 -6.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.534 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 N19-C1'-C2' 107.586 -3.634 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 O4'-C1'-N19 117.745 9.545 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-O4' 112.715 2.511 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 114.23 6.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -144.7 15.21 1.58 Allowed 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.135 0.574 . . . . 0.0 111.16 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -64.86 170.82 3.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.586 0.707 . . . . 0.0 111.871 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.68 165.41 38.64 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -58.37 148.38 64.31 Favored Pre-proline 0 N--CA 1.452 -0.352 0 CA-C-N 117.356 0.578 . . . . 0.0 111.005 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.62 156.86 62.56 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.615 2.877 . . . . 0.0 109.45 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -71.87 153.76 58.51 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.774 2.316 . . . . 0.0 110.779 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.07 12.95 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.498 3.465 . . . . 0.0 112.079 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -139.26 16.88 2.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.767 0.427 . . . . 0.0 110.944 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.36 -21.28 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 122.981 0.512 . . . . 0.0 111.362 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.53 2.28 10.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.565 0.746 . . . . 0.0 111.296 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.58 25.53 2.71 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.129 0.871 . . . . 0.0 111.081 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.2 mtp -134.0 160.64 37.11 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.783 0.833 . . . . 0.0 109.386 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -69.41 164.62 22.6 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.9 p -152.85 138.37 17.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.084 0.554 . . . . 0.0 109.522 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 87' ' ' VAL . 9.0 tp -142.76 93.71 2.55 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 119.652 -0.213 . . . . 0.0 111.351 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.8 tttp -61.29 150.65 34.18 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 123.934 0.894 . . . . 0.0 111.395 176.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 61.2 t -135.55 133.83 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.705 1.202 . . . . 0.0 107.806 174.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -154.78 -173.75 4.7 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t30 72.9 1.65 4.1 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.158 2.183 . . . . 0.0 114.805 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.835 HD13 ' H ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -56.37 170.7 0.34 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.434 0.694 . . . . 0.0 112.788 175.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.7 p -74.09 169.32 17.76 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.734 0.778 . . . . 0.0 112.541 -172.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -77.42 10.13 2.77 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.751 0.82 . . . . 0.0 111.044 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -125.76 -8.01 6.74 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.027 0.931 . . . . 0.0 111.515 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -65.17 166.85 9.01 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 75.3 m -138.22 163.1 49.9 Favored Pre-proline 0 N--CA 1.456 -0.16 0 O-C-N 121.882 -0.511 . . . . 0.0 111.324 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.5 Cg_endo -69.82 -27.56 26.06 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.434 2.089 . . . . 0.0 111.413 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -75.42 -29.97 59.9 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 117.523 0.147 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -72.09 -56.59 5.35 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' A' ' 33' ' ' VAL . 20.6 mt -58.66 -29.0 66.24 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.593 -173.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HD2' HG11 ' A' ' 40' ' ' VAL . 13.1 tpt180 -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.688 174.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm105 -89.83 -41.81 11.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.369 0.531 . . . . 0.0 112.336 -172.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.3 m -64.95 -22.26 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.815 0.846 . . . . 0.0 111.288 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.532 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 47.5 m-85 -104.72 -19.06 14.06 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 174.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.51 -23.79 67.39 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.699 0.681 . . . . 0.0 110.43 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.34 -21.43 62.05 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 122.818 0.447 . . . . 0.0 111.92 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.68 -14.01 61.08 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 122.477 0.311 . . . . 0.0 110.644 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.92 -74.79 0.18 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.72 119.16 5.19 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG11 ' HD2' ' A' ' 31' ' ' ARG . 8.7 p -56.59 -19.73 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.178 0.591 . . . . 0.0 111.254 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.51 -58.4 2.47 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 125.016 1.293 . . . . 0.0 111.879 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -162.34 164.55 27.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.523 1.129 . . . . 0.0 108.298 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.6 p -150.78 134.37 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -146.49 156.86 43.58 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.37 94.65 5.63 Favored Pre-proline 0 N--CA 1.456 -0.147 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -62.25 -25.74 76.96 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.73 2.953 . . . . 0.0 114.665 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 27.5 ptt180 20.93 -97.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.791 1.636 . . . . 0.0 111.635 -171.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 10.2 t70 -153.79 129.3 9.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.58 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 2.7 ptm180 -75.32 10.08 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -134.47 -17.08 2.04 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.882 0.765 . . . . 0.0 112.361 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.3 p -133.99 -12.56 2.53 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 122.767 0.427 . . . . 0.0 111.67 -173.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp 36.88 44.23 0.34 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.143 1.777 . . . . 0.0 113.825 175.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -129.02 27.97 5.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.837 0.455 . . . . 0.0 111.669 -175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' GLY . 51.0 m -128.47 35.42 4.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.439 0.695 . . . . 0.0 110.652 -176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -66.68 15.87 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.901 1.28 . . . . 0.0 112.125 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -67.83 -0.87 15.19 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.606 -0.684 . . . . 0.0 113.14 -178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -155.78 177.58 11.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.01 0.905 . . . . 0.0 109.964 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.62 -175.32 4.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.675 0.75 . . . . 0.0 110.998 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.24 62.74 1.03 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.474 1.51 . . . . 0.0 107.646 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -68.34 144.08 14.63 Favored 'Isoleucine or valine' 0 C--N 1.338 0.078 0 N-CA-C 106.014 -1.846 . . . . 0.0 106.014 172.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -143.71 105.06 4.27 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-N 120.323 1.419 . . . . 0.0 112.527 -171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.61 167.45 21.33 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -138.9 12.0 2.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.86 137.3 43.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -64.06 -34.9 79.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -67.23 -40.71 86.36 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.704 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.08 -16.85 28.84 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.19 -37.53 57.72 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.404 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.07 -34.2 68.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.116 -0.365 . . . . 0.0 110.449 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.27 -40.81 70.73 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.082 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.71 85.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 122.264 -0.273 . . . . 0.0 110.774 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -81.1 -29.32 34.92 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.349 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.54 -10.44 58.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.218 -0.301 . . . . 0.0 111.404 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.8 -6.29 3.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.413 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.4 mmt -122.63 -25.12 4.76 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.37 123.3 19.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.772 1.169 . . . . 0.0 109.461 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.8 1.95 90.62 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.7 -173.02 0.7 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 117.378 0.589 . . . . 0.0 111.3 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.7 t -134.17 148.46 30.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.67 -52.89 2.75 Favored 'General case' 0 C--N 1.339 0.129 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -139.96 -4.32 1.37 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.4 -13.81 0.71 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 122.088 -0.383 . . . . 0.0 112.253 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -90.95 -156.92 0.46 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.043 0.537 . . . . 0.0 109.806 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -115.36 166.65 11.64 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.588 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.03 160.91 36.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mmt-85 -143.09 139.81 30.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.294 0.237 . . . . 0.0 110.391 -173.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 18' ' ' VAL . 60.8 t -150.52 121.25 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.39 167.51 25.58 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 122.738 0.415 . . . . 0.0 110.089 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.4 149.58 37.96 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.858 0.361 . . . . 0.0 110.536 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.75 177.48 7.56 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.845 0.458 . . . . 0.0 112.143 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -135.88 171.88 13.83 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.098 0.959 . . . . 0.0 110.981 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 51.76 -165.18 0.06 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.055 1.342 . . . . 0.0 113.373 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.09 12.78 6.06 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-O 119.005 -0.886 . . . . 0.0 111.719 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 119.38 152.5 0.0 OUTLIER Pre-proline 0 C--N 1.346 0.414 0 C-N-CA 130.402 3.481 . . . . 0.0 110.024 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.586 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 83.0 Cg_exo -43.42 109.57 0.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.775 1 C-N-CA 125.34 4.027 . . . . 0.0 114.448 -176.031 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.44 -8.74 10.48 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.923 3.082 . . . . 0.0 112.74 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -143.36 44.4 1.53 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.255 0.622 . . . . 0.0 111.664 -174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.5 m -136.86 177.47 7.83 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 122.671 0.388 . . . . 0.0 110.433 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.6 p80 45.52 28.71 0.53 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.325 1.45 . . . . 0.0 113.767 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 5.01 3.24 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.249 0.62 . . . . 0.0 111.914 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.22 -1.371 . . . . 0.0 111.483 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.511 0 O4'-C1'-N19 111.136 2.936 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.419 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C5'-C4'-C3' 111.59 -2.607 . 0.058 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.586 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 N19-C1'-C2' 106.908 -4.057 . 0.135 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.58 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.568 2 O4'-C1'-N19 114.551 6.351 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 1 C5'-C4'-C3' 109.391 -4.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 O4'-C1'-N19 114.512 6.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -144.24 6.47 1.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.198 0.599 . . . . 0.0 111.169 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -143.26 174.8 10.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.492 0.717 . . . . 0.0 110.032 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.18 165.92 34.46 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -62.72 155.26 71.05 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 123.418 0.687 . . . . 0.0 111.058 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.46 154.93 7.86 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 124.353 3.369 . . . . 0.0 111.27 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.08 161.74 43.82 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.113 2.542 . . . . 0.0 110.492 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.25 169.1 23.07 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.598 2.865 . . . . 0.0 110.572 177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 54.38 23.1 4.18 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.142 0.977 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -60.77 -20.26 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.72 0.295 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.64 3.31 6.5 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.649 0.78 . . . . 0.0 111.354 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.68 25.51 2.57 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 123.818 0.723 . . . . 0.0 111.657 -177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 67.6 mtm -138.41 172.27 13.15 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 117.457 0.629 . . . . 0.0 110.418 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 m -62.16 165.48 5.72 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.369 0.668 . . . . 0.0 110.283 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 p -150.91 52.3 0.86 Allowed 'General case' 0 C--O 1.227 -0.083 0 C-N-CA 122.928 0.491 . . . . 0.0 110.592 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.74 149.01 51.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 59' ' ' PHE . 10.4 pttp -128.67 166.23 19.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 118.654 0.661 . . . . 0.0 112.669 169.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 69.3 t -140.95 137.22 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.471 1.109 . . . . 0.0 109.373 -175.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -154.41 178.0 10.53 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.538 0.735 . . . . 0.0 112.57 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 t30 84.57 28.31 0.07 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.236 1.814 . . . . 0.0 113.967 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.3 177.16 0.19 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.618 0.767 . . . . 0.0 112.694 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.5 p -95.87 169.1 10.23 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 122.889 0.476 . . . . 0.0 111.198 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -69.93 6.72 1.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.211 0.604 . . . . 0.0 111.823 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -128.06 -6.66 5.48 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.992 0.917 . . . . 0.0 111.586 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.3 m -71.81 163.95 26.89 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.5 m -143.17 160.82 50.91 Favored Pre-proline 0 N--CA 1.454 -0.232 0 C-N-CA 123.58 0.752 . . . . 0.0 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.67 -17.68 33.26 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 121.669 1.579 . . . . 0.0 110.852 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -72.38 -43.3 64.18 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 122.151 -0.343 . . . . 0.0 110.329 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -65.37 -52.04 56.36 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.288 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HA ' HG22 ' A' ' 33' ' ' VAL . 40.6 mt -57.88 -28.06 63.84 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.277 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -64.13 -48.9 74.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.715 0.689 . . . . 0.0 109.838 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -81.21 -42.87 20.11 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -173.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.4 m -66.64 -23.48 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.587 0.755 . . . . 0.0 111.265 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.8 -16.76 19.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.423 0.556 . . . . 0.0 112.335 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -59.68 -22.71 62.34 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.227 0.467 . . . . 0.0 111.786 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -75.21 -22.04 58.23 Favored 'General case' 0 C--N 1.337 0.055 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -83.54 -17.38 42.02 Favored 'General case' 0 CA--C 1.523 -0.09 0 C-N-CA 122.535 0.334 . . . . 0.0 110.961 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.27 -160.01 27.79 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -60.7 90.2 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.523 1.529 . . . . 0.0 112.363 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.8 p -72.84 54.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 125.058 1.343 . . . . 0.0 107.479 169.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.54 -12.78 6.74 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 125.034 1.302 . . . . 0.0 113.466 -173.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.63 146.68 27.42 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.817 0.809 . . . . 0.0 109.657 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.1 p -155.34 117.85 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -148.46 168.0 23.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.723 -173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.73 98.37 6.41 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -55.18 13.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 1 C-N-CA 126.177 4.585 . . . . 0.0 117.072 178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -58.79 158.92 7.41 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.3 0.955 . . . . 0.0 109.957 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.41 126.4 15.04 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.416 0.626 . . . . 0.0 111.15 -176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.52 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 54.9 ttt-85 -67.64 -1.23 4.84 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.745 1.218 . . . . 0.0 113.0 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.85 -11.85 0.87 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -137.38 -1.83 2.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 118.117 0.417 . . . . 0.0 111.291 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.94 53.92 0.18 Allowed 'General case' 0 C--N 1.344 0.329 0 C-N-CA 126.153 1.781 . . . . 0.0 113.579 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -115.06 16.13 17.09 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -128.79 28.17 5.39 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.271 0.629 . . . . 0.0 110.321 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -65.84 8.83 0.16 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.376 1.47 . . . . 0.0 112.934 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.03 -2.49 31.51 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.884 0.754 . . . . 0.0 113.365 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -155.09 -175.21 5.32 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.413 1.107 . . . . 0.0 111.238 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.74 -178.42 5.9 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.264 0.625 . . . . 0.0 110.521 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -149.92 68.99 1.01 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.315 0.646 . . . . 0.0 110.546 -177.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.0 t -77.38 158.35 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 172.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.1 ttp-105 -151.94 156.37 39.93 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.198 0.908 . . . . 0.0 113.055 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -125.05 161.31 27.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.656 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -127.01 15.87 7.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -175.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -141.99 137.11 30.95 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.656 -0.652 . . . . 0.0 109.304 173.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.35 -30.14 71.33 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -73.27 -41.44 63.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.769 0.713 . . . . 0.0 109.718 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.96 -30.4 63.82 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.53 48.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.48 -33.19 70.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.595 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -72.82 -38.44 67.15 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.303 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.12 -34.13 71.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.412 -177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -90.08 -28.38 19.05 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.296 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.0 -9.92 49.47 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 117.824 0.283 . . . . 0.0 111.352 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.72 -6.74 3.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.8 mmt -119.23 -26.29 5.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.617 0.644 . . . . 0.0 112.661 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -70.39 124.98 25.5 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.92 1.236 . . . . 0.0 109.864 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.26 0.23 89.53 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.146 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -175.88 1.64 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 117.702 0.751 . . . . 0.0 110.945 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.4 144.19 35.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.76 -53.14 2.68 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 122.713 0.405 . . . . 0.0 110.333 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -137.64 -4.85 1.79 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 150.28 -10.07 0.84 Allowed Glycine 0 CA--C 1.528 0.86 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.939 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -103.01 -162.82 0.94 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.435 0.617 . . . . 0.0 109.507 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -106.07 168.45 9.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 87.0 mt -133.67 151.29 51.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 13.8 mmt180 -138.97 135.91 34.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -171.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 18' ' ' VAL . 49.1 t -149.94 119.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.131 -0.94 . . . . 0.0 108.839 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -162.62 164.61 26.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.44 145.11 56.59 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.473 -176.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.3 -178.13 4.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.149 0.58 . . . . 0.0 111.438 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -137.47 -9.11 1.68 Allowed 'General case' 0 C--O 1.228 -0.052 0 C-N-CA 123.297 0.639 . . . . 0.0 112.131 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -134.07 179.17 6.42 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.522 0.729 . . . . 0.0 109.643 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.63 -31.58 1.22 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -156.79 142.4 12.68 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 125.153 1.381 . . . . 0.0 108.617 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.619 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 76.5 Cg_exo -45.78 142.91 7.11 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 125.087 3.858 . . . . 0.0 112.177 172.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.46 -25.69 10.93 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.942 2.428 . . . . 0.0 110.271 177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -165.99 128.84 2.03 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.242 1.017 . . . . 0.0 108.74 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.9 p -163.95 -20.26 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -144.61 161.29 39.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -146.9 8.48 0.97 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -173.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.585 -1.198 . . . . 0.0 110.438 -179.615 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 1 O4'-C1'-N19 114.935 6.735 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.455 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-C3' 112.899 -1.734 . 0.353 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.619 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 N19-C1'-C2' 106.863 -4.086 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.52 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.774 2 O4'-C1'-N19 115.942 7.742 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-C3' 110.399 -3.401 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 1 O4'-C1'-N19 114.498 6.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m -142.27 8.31 1.81 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.977 0.511 . . . . 0.0 111.404 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -142.59 175.8 9.52 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.404 0.682 . . . . 0.0 110.354 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.64 169.22 41.56 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -55.58 145.93 47.33 Favored Pre-proline 0 N--CA 1.451 -0.39 0 C-N-CA 123.764 0.825 . . . . 0.0 110.84 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.14 163.32 39.59 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 124.911 3.74 . . . . 0.0 111.915 -175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -52.05 154.19 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 124.083 3.189 . . . . 0.0 112.576 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.47 12.78 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 124.401 3.4 . . . . 0.0 112.386 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 11' ' ' GLU . 24.3 t0 -137.71 20.03 2.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.187 0.449 . . . . 0.0 111.72 -174.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.15 9.44 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 121.809 -0.557 . . . . 0.0 111.947 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 9' ' ' ASP . 38.2 mt-10 -121.02 10.28 10.74 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.875 0.87 . . . . 0.0 109.839 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.42 12.79 5.19 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.737 1.16 . . . . 0.0 110.855 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.1 mtm -142.46 -179.84 6.52 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.805 1.242 . . . . 0.0 108.699 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -58.3 162.36 3.67 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.6 p -149.75 46.88 0.94 Allowed 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.196 -0.315 . . . . 0.0 111.723 -172.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 tp -65.23 151.7 45.52 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 13.8 pttp -132.98 167.72 19.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 118.523 0.602 . . . . 0.0 111.694 168.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.3 t -138.95 141.97 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.921 0.888 . . . . 0.0 109.658 -176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -152.66 -175.33 5.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.035 0.934 . . . . 0.0 112.118 -174.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 66.42 35.94 5.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.139 1.375 . . . . 0.0 114.11 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 179.91 0.55 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.21 0.604 . . . . 0.0 112.213 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -98.06 164.55 12.3 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.3 0.64 . . . . 0.0 111.166 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -68.5 5.32 1.06 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.525 0.33 . . . . 0.0 111.855 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -123.09 -8.12 8.27 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.248 1.019 . . . . 0.0 111.089 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 26' ' ' SER . 91.5 m -69.33 165.19 21.2 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' THR . 87.7 p -146.58 164.32 24.78 Favored Pre-proline 0 C--N 1.333 -0.129 0 C-N-CA 123.718 0.807 . . . . 0.0 109.041 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.86 -19.73 35.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 121.514 1.476 . . . . 0.0 110.497 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -80.19 -35.58 36.19 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 117.813 0.279 . . . . 0.0 110.381 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -66.29 -54.12 28.6 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 176.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' HA ' HG22 ' A' ' 33' ' ' VAL . 34.1 mt -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.19 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.87 -46.88 85.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.491 0.587 . . . . 0.0 110.138 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -85.02 -43.42 13.97 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 118.416 0.553 . . . . 0.0 112.461 -174.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.2 m -65.47 -21.34 29.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 123.69 0.796 . . . . 0.0 111.658 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -102.8 -17.41 15.59 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-N 118.393 0.542 . . . . 0.0 111.893 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.41 -24.14 67.13 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.803 -0.56 . . . . 0.0 110.623 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.99 -21.36 65.96 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -78.68 -9.54 59.44 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 123.272 0.629 . . . . 0.0 110.732 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.15 -78.69 0.19 Allowed Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -166.41 120.76 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.579 1.152 . . . . 0.0 108.431 175.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.1 130.89 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.661 -1.977 . . . . 0.0 105.661 170.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -79.23 -21.54 67.27 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -167.65 169.38 11.91 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.908 0.883 . . . . 0.0 109.673 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.43 128.05 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.229 0.612 . . . . 0.0 109.542 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.41 166.77 29.1 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -140.92 96.21 7.43 Favored Pre-proline 0 C--O 1.232 0.141 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -60.07 19.92 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.395 1 C-N-CA 125.841 4.361 . . . . 0.0 116.426 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -55.39 154.72 5.88 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.265 0.938 . . . . 0.0 109.983 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -48.11 124.62 7.93 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.661 0.384 . . . . 0.0 111.386 -174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.589 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 2.1 ptm180 -72.86 8.6 1.45 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -135.75 -16.31 1.76 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.389 0.541 . . . . 0.0 112.188 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -141.06 0.45 1.55 Allowed 'General case' 0 C--O 1.231 0.109 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -174.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? 35.84 36.76 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.136 1.775 . . . . 0.0 113.933 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.71 11.87 16.43 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' GLY . 44.5 m -131.05 29.53 4.68 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 122.818 0.447 . . . . 0.0 111.551 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 -64.96 5.27 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.662 1.185 . . . . 0.0 111.567 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -65.65 -4.74 20.45 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.155 0.883 . . . . 0.0 113.741 -177.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' CD1' ' C6 ' ' B' ' 102' ' ' ' U' . 13.5 p90 -155.09 -176.38 5.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.201 1.001 . . . . 0.0 110.536 177.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.39 179.7 7.35 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.937 0.495 . . . . 0.0 110.718 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -146.22 73.45 1.33 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.626 0.771 . . . . 0.0 109.341 -179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.6 t -75.78 165.75 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 171.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.7 ttp-105 -153.98 160.3 42.01 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 119.329 0.968 . . . . 0.0 112.077 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.459 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 31.1 m-85 -126.73 157.82 38.11 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.425 1.09 . . . . 0.0 110.014 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -132.91 12.85 4.34 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.316 0.646 . . . . 0.0 111.456 -173.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -131.38 124.6 30.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.0 -27.42 68.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -168.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -75.45 -39.03 59.31 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.283 0.947 . . . . 0.0 110.701 -178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -75.56 -27.1 58.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.35 -40.27 62.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.427 0.291 . . . . 0.0 111.569 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -70.41 -31.27 68.41 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.944 -0.472 . . . . 0.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.41 -38.35 59.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.151 0.432 . . . . 0.0 110.749 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.9 72.28 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.113 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -88.91 -27.8 20.73 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.017 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.51 -8.95 55.19 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.623 0.192 . . . . 0.0 111.19 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.59 -7.62 3.66 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.8 mmt -115.91 -24.65 8.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.415 174.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.58 125.88 26.62 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.953 1.251 . . . . 0.0 110.169 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.85 2.53 90.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.355 -0.692 . . . . 0.0 112.368 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -179.82 1.76 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 118.151 0.975 . . . . 0.0 110.715 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.1 t -136.46 142.52 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 82' ' ' GLY . 52.6 tp -151.68 142.78 23.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 170.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.54 -3.99 0.07 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.338 1.455 . . . . 0.0 113.121 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 80' ' ' LEU . . . 108.89 -2.06 31.8 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -98.26 -163.03 1.0 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.242 0.617 . . . . 0.0 109.75 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -107.03 167.47 9.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.0 mt -134.76 146.26 49.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 32.5 mmt180 -140.15 147.3 39.96 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.346 0.593 . . . . 0.0 111.15 -171.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.7 131.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.332 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.94 167.93 14.35 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 122.874 0.47 . . . . 0.0 110.085 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.25 144.75 56.42 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 121.956 -0.465 . . . . 0.0 110.748 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.91 177.82 4.06 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.775 0.43 . . . . 0.0 111.25 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -139.19 -9.86 1.29 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -134.26 163.52 29.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.937 0.495 . . . . 0.0 110.496 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.43 -43.92 8.26 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' HA ' ' C5 ' ' B' ' 104' ' ' ' C' . 3.8 ptp180 -172.67 161.17 3.96 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.867 1.667 . . . . 0.0 107.224 170.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 37.2 Cg_endo -58.0 139.1 89.21 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 125.302 4.001 . . . . 0.0 111.58 177.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -83.46 -17.17 6.5 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.652 2.901 . . . . 0.0 113.928 -174.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -155.52 18.61 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.437 1.017 . . . . 0.0 113.369 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.1 m -71.36 -5.58 33.62 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.644 -0.66 . . . . 0.0 112.621 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -150.18 164.69 35.02 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.768 0.713 . . . . 0.0 111.406 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -149.19 169.87 19.75 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.695 0.798 . . . . 0.0 110.245 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.193 -1.384 . . . . 0.0 109.744 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.414 ' C6 ' ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.418 -2.893 1 O4'-C1'-N19 114.964 6.764 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.42 ' C5 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C3'-C2'-C1' 104.068 2.853 . 0.26 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.595 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C5'-C4'-C3' 109.194 -4.204 . 0.425 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.589 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 O4'-C1'-N19 114.389 6.189 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C3'-C2'-C1' 104.457 3.286 . 0.095 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 1 O4'-C1'-N19 114.25 6.05 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.368 0.128 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 m -140.28 12.06 2.37 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.315 0.646 . . . . 0.0 111.356 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -140.93 174.59 10.37 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 123.918 0.887 . . . . 0.0 110.283 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.91 167.35 38.59 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.11 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -59.53 151.08 62.73 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.772 0.829 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.37 155.75 12.07 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.875 3.717 . . . . 0.0 112.705 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.25 158.75 53.83 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.307 2.671 . . . . 0.0 110.072 175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.58 21.7 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 124.751 3.634 . . . . 0.0 113.746 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -137.63 9.9 2.89 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.425 0.557 . . . . 0.0 112.491 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.86 -13.84 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 O-C-N 122.084 -0.385 . . . . 0.0 111.356 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -78.01 4.58 11.84 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.437 0.695 . . . . 0.0 111.548 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.38 25.12 2.63 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.77 -0.461 . . . . 0.0 112.048 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 70.6 mtm -140.43 172.73 12.32 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.554 0.677 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 15' ' ' SER . 34.9 m -65.86 169.35 6.7 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.589 0.756 . . . . 0.0 109.305 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' HG22 ' A' ' 14' ' ' THR . 37.0 t -153.17 125.24 7.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD21 ' CG2' ' A' ' 87' ' ' VAL . 8.8 tp -134.46 98.31 4.05 Favored 'General case' 0 N--CA 1.458 -0.074 0 O-C-N 123.083 0.239 . . . . 0.0 111.592 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 52.2 tttp -63.89 148.85 48.43 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.878 0.871 . . . . 0.0 111.266 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 78.0 t -133.63 133.6 57.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 174.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.85 -170.85 3.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.999 0.812 . . . . 0.0 111.971 -170.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' ND2' HH21 ' A' ' 83' ' ' ARG . 2.4 t30 58.13 87.71 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.294 1.437 . . . . 0.0 112.258 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 30' ' ' LEU . 1.7 pp -139.75 173.12 11.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.128 -0.357 . . . . 0.0 111.728 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -77.37 170.08 17.18 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.339 0.59 . . . . 0.0 111.708 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -75.41 8.55 2.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.25 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -115.11 -19.83 10.7 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.158 0.435 . . . . 0.0 111.156 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 m -64.94 162.05 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.453 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 80.1 p -142.81 164.37 32.75 Favored Pre-proline 0 N--CA 1.455 -0.189 0 C-N-CA 122.902 0.481 . . . . 0.0 110.535 -175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 63.4 Cg_endo -71.03 -18.63 30.92 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.712 1.608 . . . . 0.0 110.93 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.18 -34.45 56.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.94 -0.475 . . . . 0.0 110.096 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -67.19 -51.4 53.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 176.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.8 mt -59.44 -29.75 68.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.566 -173.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -62.93 -46.15 89.12 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -85.44 -43.72 13.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 118.456 0.571 . . . . 0.0 112.488 -173.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.0 m -64.23 -23.73 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.882 0.873 . . . . 0.0 111.581 -178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.7 m-85 -102.04 -17.15 16.2 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-N 118.293 0.497 . . . . 0.0 112.055 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -61.86 -20.6 63.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.083 0.856 . . . . 0.0 112.088 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -73.29 -18.81 61.17 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 121.797 -0.565 . . . . 0.0 112.12 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.89 -14.53 41.69 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 123.656 0.782 . . . . 0.0 110.87 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.85 -175.51 23.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 108.721 -1.751 . . . . 0.0 108.721 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -63.85 118.98 9.15 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.5 -16.94 8.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.291 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.88 -51.49 2.36 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.454 1.502 . . . . 0.0 112.351 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -160.93 161.28 31.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.487 1.115 . . . . 0.0 108.545 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 p -147.47 120.58 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -144.3 165.01 29.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.8 mt -140.93 94.32 8.0 Favored Pre-proline 0 CA--C 1.529 0.164 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.27 15.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.528 1 C-N-CA 126.182 4.588 . . . . 0.0 115.598 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 29.6 ptt180 -43.84 -62.35 1.14 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.93 0.892 . . . . 0.0 112.863 -173.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 22.0 t70 -162.6 177.26 9.57 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.381 1.073 . . . . 0.0 108.301 176.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 19.3 ptt85 -131.11 8.95 4.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.583 0.629 . . . . 0.0 112.111 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -130.53 -21.09 2.86 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.023 0.529 . . . . 0.0 111.307 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.5 p -131.98 -23.81 2.2 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 122.522 0.329 . . . . 0.0 111.117 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 46.58 63.05 2.04 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.687 1.195 . . . . 0.0 112.673 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -127.34 -19.33 4.28 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -76.71 39.27 0.21 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.602 0.761 . . . . 0.0 111.75 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -66.73 16.1 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.419 1.488 . . . . 0.0 114.209 -173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.29 1.14 20.78 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 118.614 0.643 . . . . 0.0 113.129 -177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -155.45 -174.21 4.88 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.512 1.156 . . . . 0.0 110.653 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.46 -179.27 7.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 111.723 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.501 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.6 OUTLIER -153.07 64.19 0.77 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.142 1.377 . . . . 0.0 109.39 178.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 18.0 t -70.35 150.91 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 106.101 -1.815 . . . . 0.0 106.101 169.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -145.33 103.91 3.88 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.742 1.155 . . . . 0.0 112.118 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -74.08 162.35 29.09 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -128.28 2.85 5.73 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.339 0.656 . . . . 0.0 112.005 -178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -123.19 130.55 52.91 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -65.33 -22.12 66.78 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -171.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -83.49 -47.07 11.75 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.789 0.804 . . . . 0.0 109.091 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -60.46 -29.62 69.15 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.55 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.02 -43.23 14.14 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.69 -35.06 78.11 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 118.656 0.662 . . . . 0.0 110.48 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -68.62 -41.19 79.86 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.77 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.36 -34.16 73.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.713 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -87.97 -27.61 21.98 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.771 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.6 -11.61 60.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.133 0.173 . . . . 0.0 111.04 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.92 -6.77 4.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.412 ' HB2' HG11 ' A' ' 87' ' ' VAL . 5.5 mmt -119.48 -22.48 6.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.092 0.86 . . . . 0.0 113.046 174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -66.44 127.06 30.83 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 120.298 1.408 . . . . 0.0 110.408 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.75 3.45 83.76 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.257 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -177.0 1.22 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 117.54 0.67 . . . . 0.0 110.946 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.86 151.37 25.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 123.864 0.866 . . . . 0.0 109.344 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.1 tp -119.03 -56.19 2.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.982 0.513 . . . . 0.0 111.106 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -131.0 -0.85 4.14 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.76 -13.38 2.42 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 112.171 -0.371 . . . . 0.0 112.171 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.467 HH21 ' ND2' ' A' ' 20' ' ' ASN . 10.9 ptm85 -85.17 -152.11 0.15 Allowed 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 123.743 0.817 . . . . 0.0 110.335 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -122.86 156.34 34.8 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.065 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.2 mt -124.48 149.71 46.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 30.7 mmt180 -142.81 147.64 35.8 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.631 0.729 . . . . 0.0 111.719 -172.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -164.62 129.69 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.235 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -165.21 168.66 16.85 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.87 0.468 . . . . 0.0 109.986 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.3 149.75 41.21 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.079 0.466 . . . . 0.0 110.746 -178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.96 177.93 5.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.954 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -125.52 -10.33 6.84 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -151.56 178.97 8.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.086 0.955 . . . . 0.0 109.572 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.62 -45.89 1.47 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -159.67 153.28 19.05 Favored Pre-proline 0 N--CA 1.451 -0.404 0 C-N-CA 126.092 1.757 . . . . 0.0 107.755 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.643 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 51.8 Cg_exo -51.67 154.1 9.91 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 125.195 3.93 . . . . 0.0 112.047 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -74.43 -23.12 15.44 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 123.077 2.518 . . . . 0.0 110.49 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -153.02 159.42 42.88 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 125.427 1.491 . . . . 0.0 107.61 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m -53.67 -45.72 70.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 117.994 0.361 . . . . 0.0 111.768 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -167.71 8.04 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.887 0.475 . . . . 0.0 110.925 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -68.59 -4.72 16.38 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.763 0.825 . . . . 0.0 112.891 -176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.618 179.372 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.521 -2.652 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 112.333 -2.111 . 0.016 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.643 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 N19-C1'-C2' 107.113 -3.929 . 0.07 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.505 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.63 2 O4'-C1'-N19 116.152 7.952 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 C3'-C2'-C1' 104.443 3.27 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 O4'-C1'-N19 114.942 6.742 . 0.126 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -148.64 11.85 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 122.667 0.387 . . . . 0.0 111.343 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 22.2 m-85 -138.79 25.34 2.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 123.08 0.552 . . . . 0.0 110.119 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.25 170.03 54.51 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-O 121.564 0.536 . . . . 0.0 112.026 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 142.83 19.92 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 123.601 0.76 . . . . 0.0 111.05 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HD3' ' C6 ' ' B' ' 106' ' ' ' G' . 74.0 Cg_endo -71.83 163.27 39.4 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 124.59 3.527 . . . . 0.0 110.427 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.55 160.09 47.43 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.17 2.58 . . . . 0.0 110.647 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.24 13.81 0.82 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 124.918 3.745 . . . . 0.0 113.085 -175.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -141.02 13.92 2.25 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.073 0.397 . . . . 0.0 111.834 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.4 -22.54 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 122.874 0.47 . . . . 0.0 111.324 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -8.18 55.52 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.501 0.72 . . . . 0.0 112.397 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.09 23.51 9.23 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.218 0.913 . . . . 0.0 112.012 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 73.5 mtm -138.26 170.84 15.32 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-N 117.673 0.736 . . . . 0.0 110.678 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.4 m -60.24 156.89 14.49 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -152.56 140.12 19.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 123.169 0.588 . . . . 0.0 109.536 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -143.8 91.68 2.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 119.452 -0.308 . . . . 0.0 111.328 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 49.8 tttp -60.64 151.97 27.64 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.151 0.981 . . . . 0.0 111.313 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 62.6 t -136.97 133.01 47.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 124.83 1.252 . . . . 0.0 107.859 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -156.48 -176.5 6.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.814 0.846 . . . . 0.0 112.462 -174.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t30 84.37 0.81 0.9 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 127.041 2.137 . . . . 0.0 113.995 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.932 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.47 172.09 0.53 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.303 1.041 . . . . 0.0 113.296 178.265 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -75.88 171.94 13.56 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-O 121.409 0.623 . . . . 0.0 112.272 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -78.19 -4.53 48.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.89 174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.92 -22.25 18.72 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.124 0.42 . . . . 0.0 110.22 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.0 m -61.66 164.18 6.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.724 0.81 . . . . 0.0 110.989 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 27' ' ' PRO . 62.3 p -144.28 168.63 11.96 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 124.046 0.939 . . . . 0.0 108.856 -178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 26' ' ' SER . 87.8 Cg_endo -73.66 -21.08 19.54 Favored 'Trans proline' 0 N--CA 1.45 -1.077 0 C-N-CA 121.417 1.411 . . . . 0.0 111.079 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.21 -31.89 43.86 Favored 'General case' 0 C--O 1.231 0.103 0 O-C-N 122.305 -0.247 . . . . 0.0 110.754 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -48.67 60.69 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.63 -30.43 71.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.683 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -61.21 -39.57 90.71 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -88.1 -38.5 15.34 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.308 0.643 . . . . 0.0 111.358 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.57 -39.02 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 C-N-CA 124.126 0.97 . . . . 0.0 111.158 177.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 44.2 m-85 -97.49 -13.53 21.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -175.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -58.53 -28.5 65.51 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -72.82 -18.52 61.46 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.774 -0.579 . . . . 0.0 112.241 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -86.29 -15.19 41.41 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.866 0.466 . . . . 0.0 111.127 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.74 -171.61 24.75 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 108.906 -1.677 . . . . 0.0 108.906 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -65.46 118.36 9.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.57 -18.8 10.05 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 -52.5 2.66 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 125.044 1.306 . . . . 0.0 112.209 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -161.49 162.71 30.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.954 0.902 . . . . 0.0 108.651 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -152.56 128.5 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -145.6 159.24 43.43 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.61 91.12 6.86 Favored Pre-proline 0 CA--C 1.53 0.179 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.24 -21.21 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.852 3.034 . . . . 0.0 114.082 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 29.5 -110.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 125.662 1.585 . . . . 0.0 109.729 -176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.97 122.49 7.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 169.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -62.77 -0.63 0.68 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.103 1.761 . . . . 0.0 113.496 -175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.09 -15.81 0.51 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 119.265 0.939 . . . . 0.0 113.366 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -133.65 -6.01 2.86 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 118.272 0.487 . . . . 0.0 111.884 -173.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 30.1 59.85 0.19 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.472 1.909 . . . . 0.0 114.011 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -132.88 26.28 4.3 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 m -130.93 36.15 3.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.285 0.634 . . . . 0.0 111.444 -176.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.39 -2.86 0.79 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.829 1.251 . . . . 0.0 112.125 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.92 4.31 5.78 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.243 0.925 . . . . 0.0 114.442 -173.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.422 ' CD1' " H1'" ' B' ' 102' ' ' ' U' . 18.0 p90 -157.8 176.72 12.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.154 1.477 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.05 -174.75 4.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.956 0.902 . . . . 0.0 110.431 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.14 64.46 0.97 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.834 1.254 . . . . 0.0 108.103 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.8 t -74.15 139.75 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 171.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -141.05 105.8 4.92 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 119.194 0.906 . . . . 0.0 111.828 -171.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -74.47 163.84 27.29 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -131.43 10.12 4.79 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.255 0.622 . . . . 0.0 112.084 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.06 129.98 42.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.14 -32.85 74.34 Favored 'General case' 0 C--O 1.226 -0.134 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -75.32 -38.55 60.2 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.641 1.11 . . . . 0.0 110.186 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -70.15 -29.62 66.58 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.14 -43.18 19.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.68 -30.51 70.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.74 -0.6 . . . . 0.0 111.203 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.7 -37.92 59.07 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.495 0.589 . . . . 0.0 110.866 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.03 -33.77 73.8 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 119.297 -0.382 . . . . 0.0 111.26 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -87.72 -28.66 21.62 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.885 0.766 . . . . 0.0 110.788 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.71 -9.88 56.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.285 -0.259 . . . . 0.0 111.327 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.23 -7.58 3.81 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.457 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -118.68 -26.22 6.18 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.793 175.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -66.28 117.91 9.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 120.22 1.373 . . . . 0.0 109.878 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.77 2.48 90.55 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.791 -0.449 . . . . 0.0 112.418 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -176.45 1.1 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.871 0.836 . . . . 0.0 111.119 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.9 t -139.86 115.0 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 C-N-CA 123.585 0.754 . . . . 0.0 109.437 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.8 pt? -92.38 -19.06 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -158.89 -16.36 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.25 -6.77 0.6 Allowed Glycine 0 CA--C 1.528 0.893 0 CA-C-N 118.394 0.543 . . . . 0.0 112.049 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -111.84 -156.89 0.6 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.418 0.687 . . . . 0.0 109.261 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.34 160.84 22.23 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.601 0.36 . . . . 0.0 110.464 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -120.28 161.19 21.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 26.4 mmt180 -139.31 136.48 34.9 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 75' ' ' MET . 59.0 t -151.24 119.24 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -177.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -161.62 166.7 26.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.06 146.87 52.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.291 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.16 177.56 7.15 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.408 0.283 . . . . 0.0 111.748 -175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -141.74 -176.6 4.82 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.452 0.701 . . . . 0.0 110.779 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 53.52 -166.0 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.955 0.902 . . . . 0.0 111.812 -175.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.36 16.3 3.86 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.192 -0.782 . . . . 0.0 111.408 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 119.61 145.32 0.0 OUTLIER Pre-proline 0 C--N 1.342 0.282 0 C-N-CA 130.82 3.648 . . . . 0.0 108.639 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.551 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 43.6 Cg_endo -66.21 126.68 16.12 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.497 3.464 . . . . 0.0 110.715 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.44 -9.96 8.99 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 123.891 3.061 . . . . 0.0 113.608 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -147.55 18.79 1.18 Allowed 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -172.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.0 p -68.8 -19.47 64.29 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 122.152 -0.342 . . . . 0.0 111.449 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -151.77 171.55 17.53 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.597 0.237 . . . . 0.0 111.447 -174.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -147.08 176.11 10.19 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 110.28 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.062 -179.772 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.422 " H1'" ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.414 -3.251 1 O4'-C1'-N19 113.138 4.938 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 C5'-C4'-C3' 111.933 -2.378 . 0.041 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.551 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 N19-C1'-C2' 107.542 -3.661 . 0.222 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.479 ' C8 ' H5'' ' B' ' 104' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.559 2 O4'-C1'-N19 115.307 7.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . 0.444 ' C6 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 C5'-C4'-C3' 111.957 -2.362 . 0.042 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 112.039 3.839 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 p -146.14 -3.2 0.67 Allowed 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.92 0.488 . . . . 0.0 111.762 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -129.94 -175.88 3.75 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.574 0.749 . . . . 0.0 111.956 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.49 166.1 37.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -55.89 147.37 43.52 Favored Pre-proline 0 N--CA 1.454 -0.226 0 C-N-CA 123.082 0.553 . . . . 0.0 111.611 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.82 164.23 36.17 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 124.367 3.378 . . . . 0.0 109.873 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.66 156.93 60.02 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.329 2.02 . . . . 0.0 110.317 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.68 13.94 2.45 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.219 3.28 . . . . 0.0 112.49 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -138.45 28.96 2.44 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.379 0.536 . . . . 0.0 111.608 -173.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.14 -26.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 122.212 -0.305 . . . . 0.0 111.053 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.6 0.19 13.44 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.348 0.659 . . . . 0.0 111.962 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.52 2.63 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.485 -0.62 . . . . 0.0 112.497 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -142.07 176.01 9.29 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 117.978 0.889 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 t -70.65 174.96 5.28 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.708 0.403 . . . . 0.0 110.411 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -149.17 49.82 0.97 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.207 1.003 . . . . 0.0 109.541 -174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.7 tm? -65.01 98.87 0.31 Allowed 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 124.028 0.931 . . . . 0.0 110.334 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 14.8 pttp -90.93 172.34 8.66 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-N 118.549 0.613 . . . . 0.0 112.423 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.487 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 74.3 t -148.12 138.83 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 124.676 1.19 . . . . 0.0 110.525 -172.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.7 174.87 13.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.03 0.932 . . . . 0.0 112.158 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 101.49 18.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.83 2.052 . . . . 0.0 114.397 169.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 177.21 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -96.3 168.35 10.63 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.084 0.553 . . . . 0.0 110.773 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -69.59 6.75 1.01 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.884 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -127.95 -8.16 5.48 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.62 0.768 . . . . 0.0 111.493 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.4 m -71.72 162.02 30.09 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.8 m -140.03 155.57 70.73 Favored Pre-proline 0 N--CA 1.453 -0.281 0 C-N-CA 123.297 0.639 . . . . 0.0 109.396 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.24 -20.62 24.39 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.111 2.541 . . . . 0.0 112.167 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -74.53 -28.47 60.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -72.72 -50.65 23.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.23 -30.93 71.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -62.31 -44.39 96.62 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -80.72 -39.9 26.25 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 118.034 0.379 . . . . 0.0 110.714 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 t -59.74 -31.67 47.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 124.585 1.154 . . . . 0.0 111.187 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 26.7 m-85 -103.11 -11.43 18.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.994 0.361 . . . . 0.0 111.804 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -72.04 -24.03 61.47 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -67.82 -22.23 65.16 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -76.33 -9.15 58.42 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.033 0.533 . . . . 0.0 110.888 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.17 -82.71 0.16 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -162.76 126.04 2.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.667 1.187 . . . . 0.0 108.01 172.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.87 133.22 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 173.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 62' ' ' PHE . . . -77.82 -23.63 66.47 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -167.41 169.28 12.41 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.787 0.835 . . . . 0.0 109.597 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -155.58 141.96 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -158.8 161.8 36.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.6 mt -141.58 90.73 8.71 Favored Pre-proline 0 N--CA 1.455 -0.213 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 83.9 Cg_endo -77.15 -14.63 16.61 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 123.118 2.545 . . . . 0.0 113.177 -172.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 25.79 -108.62 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 110.564 -175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -146.2 128.84 16.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 58.1 ttt-85 -75.83 17.92 0.29 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.061 1.345 . . . . 0.0 112.197 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -138.84 -12.73 1.27 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 p -133.0 -17.98 2.37 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 122.63 0.372 . . . . 0.0 111.271 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 43.27 34.95 0.77 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.45 1.5 . . . . 0.0 113.512 176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.25 8.67 4.71 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 56' ' ' GLY . 49.7 m -93.57 29.2 2.06 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.204 0.602 . . . . 0.0 110.528 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.76 3.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.448 1.499 . . . . 0.0 112.012 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 54' ' ' SER . . . -57.94 -6.59 2.9 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.617 1.103 . . . . 0.0 114.167 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.45 ' CD1' ' C6 ' ' B' ' 102' ' ' ' U' . 3.4 p90 -151.77 179.71 8.18 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 118.547 1.174 . . . . 0.0 111.348 177.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.69 179.04 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.215 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.12 67.53 1.19 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 122.9 0.48 . . . . 0.0 111.235 -175.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 70.7 t -74.9 155.82 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 25.2 ttp-105 -149.48 160.81 43.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.212 0.46 . . . . 0.0 111.241 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' HA ' ' H ' ' A' ' 41' ' ' GLY . 20.5 m-85 -132.53 162.85 30.21 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.135 0.974 . . . . 0.0 110.515 173.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -135.34 15.56 3.46 Favored 'General case' 0 CA--C 1.528 0.11 0 O-C-N 124.001 0.813 . . . . 0.0 112.002 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -133.87 131.24 38.92 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -62.1 -30.94 71.36 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -171.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -73.51 -39.39 64.85 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 119.061 0.846 . . . . 0.0 110.558 -174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -77.71 -29.55 51.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.63 -46.7 65.6 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.804 0.441 . . . . 0.0 111.389 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.7 -32.55 72.44 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.22 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.41 -38.09 63.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 118.419 0.554 . . . . 0.0 110.641 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -34.07 72.83 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.152 -177.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -90.62 -27.89 18.78 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 118.84 0.745 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -68.87 -10.21 55.75 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 122.356 -0.215 . . . . 0.0 111.189 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.45 -8.57 3.7 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.479 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.3 mmt -120.55 -18.33 7.84 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -75.77 52.56 0.68 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.072 1.305 . . . . 0.0 111.705 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.3 3.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.128 0.87 . . . . 0.0 112.672 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.82 -175.24 2.89 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.328 1.064 . . . . 0.0 111.146 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.94 120.6 26.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.65 -55.88 7.74 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.5 -1.16 0.4 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.61 -7.98 0.08 OUTLIER Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -121.47 -174.22 2.81 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.439 1.12 . . . . 0.0 109.584 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.98 171.63 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 122.819 0.448 . . . . 0.0 111.156 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 mp -122.86 162.83 21.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -141.99 133.51 26.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 75' ' ' MET . 61.3 t -150.9 126.11 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.06 164.94 20.36 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.541 0.21 . . . . 0.0 110.957 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.9 mmt -65.82 148.65 51.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.333 0.253 . . . . 0.0 110.662 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.39 -177.24 5.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.752 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -138.74 -9.42 1.39 Allowed 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 123.52 0.728 . . . . 0.0 112.16 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -134.71 174.87 10.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.031 0.532 . . . . 0.0 110.453 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.38 -27.93 5.95 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 172.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -154.27 154.67 30.0 Favored Pre-proline 0 N--CA 1.447 -0.589 0 C-N-CA 125.938 1.695 . . . . 0.0 107.501 173.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.555 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 19.5 Cg_endo -56.18 145.49 76.23 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 125.109 3.873 . . . . 0.0 110.462 172.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.63 -20.78 9.09 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.47 2.78 . . . . 0.0 114.256 -172.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.37 17.41 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.287 0.949 . . . . 0.0 113.336 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -69.23 -14.02 62.73 Favored 'General case' 0 C--N 1.333 -0.134 0 O-C-N 121.805 -0.559 . . . . 0.0 112.026 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -150.31 152.38 34.39 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 118.128 0.422 . . . . 0.0 110.284 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -164.58 170.59 15.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.705 0.802 . . . . 0.0 109.993 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.05 -1.452 . . . . 0.0 110.193 -178.752 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.45 ' C6 ' ' CD1' ' A' ' 57' ' ' PHE . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 113.297 5.097 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.4 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C3'-C2'-C1' 103.38 2.089 . 0.136 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.555 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 N19-C1'-C2' 107.692 -3.568 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.438 ' C8 ' H5'' ' B' ' 104' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.72 2 O4'-C1'-N19 116.122 7.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C5'-C4'-C3' 111.58 -2.613 . 0.112 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 O4'-C1'-N19 113.102 4.902 . 0.128 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 110.813 -0.069 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -155.08 171.37 19.88 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.653 0.781 . . . . 0.0 109.811 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -143.79 173.96 11.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.059 0.543 . . . . 0.0 110.758 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.42 176.39 39.58 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 -176.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 10.9 ptm85 -52.78 149.64 11.07 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.221 1.008 . . . . 0.0 112.069 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' ARG . 77.3 Cg_exo -51.1 159.66 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.654 3.569 . . . . 0.0 111.875 170.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -51.57 150.85 15.35 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.309 2.673 . . . . 0.0 112.199 177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -79.08 8.73 3.66 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 124.444 3.429 . . . . 0.0 113.089 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -140.64 19.56 2.35 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.634 0.652 . . . . 0.0 111.844 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.8 -11.77 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 O-C-N 121.942 -0.474 . . . . 0.0 111.892 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -86.43 4.09 41.03 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.327 0.651 . . . . 0.0 111.069 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.08 15.67 3.25 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.236 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.8 mtm -142.56 168.46 19.67 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 117.903 0.852 . . . . 0.0 109.442 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.1 t -68.88 177.74 2.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.661 0.267 . . . . 0.0 110.483 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.2 p -151.8 151.08 30.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.731 0.776 . . . . 0.0 110.893 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 15.5 tp -143.63 152.5 41.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 14.8 pttp -130.27 165.8 21.69 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.394 0.997 . . . . 0.0 111.787 170.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 72.7 t -139.68 133.48 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.497 1.119 . . . . 0.0 109.073 -176.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -151.95 -173.12 4.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.483 1.113 . . . . 0.0 111.449 -174.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 t30 54.71 92.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.412 1.485 . . . . 0.0 112.027 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.46 175.53 8.15 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.924 0.49 . . . . 0.0 111.563 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.6 p -84.02 169.35 15.05 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 111.644 -176.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -70.82 7.29 1.18 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.054 0.541 . . . . 0.0 111.691 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.6 mmm-85 -128.1 -8.71 5.38 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.729 0.812 . . . . 0.0 111.751 -177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -70.98 160.95 31.96 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 68.4 m -145.3 161.82 39.95 Favored Pre-proline 0 CA--C 1.53 0.181 0 C-N-CA 123.373 0.669 . . . . 0.0 109.628 -177.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 73.2 Cg_endo -71.57 -23.12 23.6 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.073 1.848 . . . . 0.0 112.278 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.71 -33.9 60.35 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.319 0.509 . . . . 0.0 110.852 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.15 -49.88 63.21 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 176.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 33' ' ' VAL . 24.9 mt -59.8 -28.52 67.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.082 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -64.89 -45.9 84.0 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.547 0.612 . . . . 0.0 110.205 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -80.53 -44.69 18.67 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 30' ' ' LEU . 16.7 m -67.19 -23.11 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 124.069 0.948 . . . . 0.0 111.665 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 34.2 m-85 -97.76 -16.37 19.9 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.368 0.531 . . . . 0.0 112.406 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.0 -31.3 68.67 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.623 0.647 . . . . 0.0 111.053 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.87 -22.17 65.99 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 122.968 0.507 . . . . 0.0 112.244 -175.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -76.22 -12.31 60.07 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 122.687 0.395 . . . . 0.0 110.673 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.27 -73.29 0.25 Allowed Glycine 0 C--N 1.337 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -165.3 113.18 0.99 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.94 131.59 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.55 -23.77 61.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -168.11 171.74 9.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.789 0.435 . . . . 0.0 110.752 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -154.89 131.45 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.088 0.955 . . . . 0.0 108.785 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -152.54 161.16 42.96 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.47 96.74 4.78 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 -7.7 2.41 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 125.276 3.984 . . . . 0.0 117.755 -172.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 52' ' ' LYS . 13.3 mmt-85 31.02 -117.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.113 0.965 . . . . 0.0 111.139 -173.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -142.71 5.26 1.56 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.854 0.862 . . . . 0.0 111.697 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.609 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 3.8 ptm180 43.38 7.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.577 2.751 . . . . 0.0 115.846 -171.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.93 -21.08 0.57 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.799 0.727 . . . . 0.0 112.655 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 p -128.86 -11.86 4.81 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.029 0.377 . . . . 0.0 111.374 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 47' ' ' ARG . 36.6 mtmm 43.82 44.13 5.51 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.821 1.248 . . . . 0.0 114.09 170.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.17 7.69 2.66 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -176.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -61.88 -41.39 97.82 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.054 0.843 . . . . 0.0 110.507 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 14.04 66.93 0.01 OUTLIER 'General case' 0 C--N 1.34 0.172 0 C-N-CA 127.723 2.409 . . . . 0.0 114.109 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.1 -3.4 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.403 -0.665 . . . . 0.0 113.256 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -155.23 178.88 9.71 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 118.16 0.98 . . . . 0.0 109.915 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.52 -179.86 7.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.964 0.505 . . . . 0.0 110.117 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -148.5 76.83 1.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.724 0.81 . . . . 0.0 109.99 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 25.7 t -80.85 158.28 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 171.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -142.48 160.57 40.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 118.974 0.807 . . . . 0.0 111.092 178.642 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -127.51 166.72 17.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.041 0.936 . . . . 0.0 108.815 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -139.41 12.37 2.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -133.65 135.71 44.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -62.73 -36.81 84.2 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -171.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -68.97 -40.96 78.54 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 118.898 0.772 . . . . 0.0 110.726 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -76.75 -29.86 56.31 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.03 -33.16 70.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.97 -0.456 . . . . 0.0 110.63 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -73.44 -38.1 65.63 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.561 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.68 -35.95 73.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.459 -0.305 . . . . 0.0 111.218 -176.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -88.47 -29.04 20.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.361 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.23 -8.97 50.73 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.829 0.286 . . . . 0.0 111.187 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.59 -7.34 3.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.409 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.5 mmt -118.9 -26.51 6.01 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.677 0.671 . . . . 0.0 112.342 175.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.42 126.17 28.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 119.864 1.211 . . . . 0.0 110.437 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.26 0.99 85.11 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.513 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.02 -177.06 1.54 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.629 0.714 . . . . 0.0 110.903 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.53 142.03 41.77 Favored 'Isoleucine or valine' 0 C--O 1.231 0.081 0 C-N-CA 123.742 0.817 . . . . 0.0 109.415 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.43 -53.15 2.67 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 122.474 0.309 . . . . 0.0 110.853 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -137.82 -3.81 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.91 -7.38 0.77 Allowed Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.774 -0.459 . . . . 0.0 112.798 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -109.94 -165.32 1.0 Allowed 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 117.562 0.681 . . . . 0.0 109.674 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -104.3 162.25 13.37 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.776 0.431 . . . . 0.0 110.129 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.49 151.3 49.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 21.6 mmt180 -139.87 137.61 35.03 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.042 0.448 . . . . 0.0 111.132 -172.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 18' ' ' VAL . 57.6 t -152.12 124.85 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.531 -178.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -164.44 165.93 21.0 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.492 0.317 . . . . 0.0 110.269 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.9 144.24 55.25 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.783 0.433 . . . . 0.0 111.162 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.94 178.34 4.35 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.872 0.469 . . . . 0.0 111.431 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -137.8 -15.48 1.36 Allowed 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -134.74 173.23 11.91 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.99 0.516 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.16 -33.95 4.11 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 172.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -154.97 145.63 16.19 Favored Pre-proline 0 N--CA 1.446 -0.654 0 C-N-CA 125.635 1.574 . . . . 0.0 107.626 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.57 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 38.4 Cg_endo -63.18 120.63 8.16 Favored 'Trans proline' 0 N--CA 1.45 -1.07 1 C-N-CA 125.486 4.124 . . . . 0.0 110.319 175.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.45 -0.85 10.94 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 124.118 3.212 . . . . 0.0 112.845 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -138.97 32.72 2.17 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.0 m -128.12 -18.95 4.03 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -162.63 146.5 11.54 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -149.44 1.98 0.54 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.137 -1.411 . . . . 0.0 110.963 -175.251 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 C5'-C4'-C3' 111.644 -2.571 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.614 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C5'-C4'-C3' 111.906 -2.396 . 0.085 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.57 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 N19-C1'-C2' 107.485 -3.697 . 0.175 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.609 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.652 2 O4'-C1'-N19 115.949 7.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.932 -2.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 1 O4'-C1'-N19 115.035 6.835 . 0.345 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 m -144.2 11.38 1.54 Allowed 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 122.598 0.359 . . . . 0.0 111.702 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -140.62 177.8 7.77 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.276 0.631 . . . . 0.0 110.179 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.18 174.21 41.73 Favored Glycine 0 C--N 1.336 0.555 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 5' ' ' ARG . 11.3 ptm85 -60.03 154.18 51.5 Favored Pre-proline 0 N--CA 1.449 -0.507 0 C-N-CA 123.882 0.873 . . . . 0.0 111.155 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.85 160.75 47.01 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.839 3.693 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.68 160.4 48.26 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.058 2.505 . . . . 0.0 110.127 177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.62 18.81 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 124.304 3.336 . . . . 0.0 112.054 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 11' ' ' GLU . 31.4 t0 -138.63 23.96 2.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.358 0.526 . . . . 0.0 111.814 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.9 9.56 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 123.106 0.563 . . . . 0.0 112.159 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 9' ' ' ASP . 35.8 mt-10 -126.63 11.71 7.34 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.315 0.646 . . . . 0.0 110.072 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.87 17.81 2.99 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 123.734 0.683 . . . . 0.0 111.739 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 69.6 mtm -141.73 169.71 17.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.492 0.717 . . . . 0.0 110.465 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 m -63.99 159.64 19.6 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -150.02 125.77 10.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tp -131.18 93.95 3.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 119.54 -0.267 . . . . 0.0 110.717 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 46.6 tttp -64.53 147.16 53.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.407 1.083 . . . . 0.0 110.869 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 93.4 t -134.67 137.76 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.819 1.247 . . . . 0.0 108.027 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -148.63 -174.69 4.68 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.966 0.906 . . . . 0.0 112.395 -172.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 t30 70.94 93.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.66 1.584 . . . . 0.0 111.452 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' CD2' ' HB ' ' A' ' 25' ' ' THR . 5.3 mt -117.51 169.7 9.32 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.555 1.542 . . . . 0.0 112.534 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.651 HG23 ' HD3' ' A' ' 83' ' ' ARG . 44.6 p -109.66 166.2 11.09 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.419 0.628 . . . . 0.0 110.196 165.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -71.22 4.7 2.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.08 172.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -121.67 -1.77 9.46 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.236 1.014 . . . . 0.0 110.564 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 24.6 m -109.58 166.66 10.73 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 172.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 73.3 m -150.7 164.05 21.76 Favored Pre-proline 0 N--CA 1.457 -0.104 0 O-C-N 122.151 -0.343 . . . . 0.0 110.595 -170.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 54.2 Cg_endo -67.5 -16.72 47.95 Favored 'Trans proline' 0 N--CA 1.448 -1.153 0 C-N-CA 122.477 2.118 . . . . 0.0 111.784 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.55 -34.11 60.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 -49.04 66.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.23 -32.17 73.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 121.132 -0.227 . . . . 0.0 110.837 -178.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 -61.22 -40.06 92.6 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttm105 -88.75 -37.58 15.36 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 123.58 0.752 . . . . 0.0 111.286 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.08 -36.36 71.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 124.416 1.087 . . . . 0.0 110.937 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 45.8 m-85 -101.22 -11.91 19.14 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.7 -32.35 70.43 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.274 -0.266 . . . . 0.0 111.707 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.11 -19.65 64.05 Favored 'General case' 0 CA--C 1.527 0.066 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -80.0 -11.93 59.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.813 0.445 . . . . 0.0 110.92 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.52 -85.39 0.14 Allowed Glycine 0 C--N 1.337 0.587 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -152.52 121.85 6.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -57.3 -18.3 8.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.18 -56.28 2.33 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 125.0 1.286 . . . . 0.0 111.96 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -155.64 163.58 39.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.868 0.867 . . . . 0.0 108.703 174.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 2.2 p -148.77 121.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -146.16 169.1 19.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.065 0.46 . . . . 0.0 111.62 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -141.58 97.48 6.66 Favored Pre-proline 0 N--CA 1.457 -0.116 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -54.06 16.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 1 C-N-CA 126.848 5.032 . . . . 0.0 117.037 176.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -58.35 160.15 5.49 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.841 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.6 129.25 40.15 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.025 0.441 . . . . 0.0 111.506 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 65.1 ttt-85 -67.03 1.89 1.75 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.975 1.31 . . . . 0.0 112.955 -175.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -139.81 -9.26 1.2 Allowed 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -134.72 -15.38 2.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.72 0.408 . . . . 0.0 111.542 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.3 mttt 35.59 42.76 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.97 2.108 . . . . 0.0 114.515 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.58 28.72 8.53 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.1 0.56 . . . . 0.0 111.64 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.4 m -128.83 35.67 4.31 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 123.419 0.688 . . . . 0.0 110.572 -175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.1 mtp-105 -64.39 3.91 0.42 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.783 0.833 . . . . 0.0 112.546 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.3 11.8 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 124.041 0.829 . . . . 0.0 113.367 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -152.69 177.97 10.11 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 118.036 0.918 . . . . 0.0 110.767 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.37 5.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.932 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.7 OUTLIER -149.08 59.91 1.04 Allowed 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.558 1.143 . . . . 0.0 109.023 178.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 10.0 t -69.91 145.2 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 170.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.3 ttp-105 -144.91 105.03 4.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.967 1.258 . . . . 0.0 112.779 -172.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -73.36 161.95 29.88 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -128.01 6.52 6.0 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.218 0.607 . . . . 0.0 111.91 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -129.98 126.73 38.47 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.0 -30.3 71.39 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -171.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.74 -43.71 68.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.266 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.53 -27.72 58.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.26 -39.26 59.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.489 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -75.47 -39.62 58.43 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.606 0.639 . . . . 0.0 111.032 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -33.73 71.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 119.313 -0.375 . . . . 0.0 111.475 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.406 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 19.8 ptt? -88.88 -27.02 21.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.97 0.805 . . . . 0.0 110.861 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.59 -6.66 48.03 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 122.144 0.177 . . . . 0.0 110.853 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.38 -5.93 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.31 -14.78 7.37 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.07 61.84 0.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.334 1.425 . . . . 0.0 112.217 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.52 -2.05 0.9 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.027 0.823 . . . . 0.0 111.94 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.02 -174.71 2.34 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.626 -177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.9 t -132.24 142.79 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 C-N-CA 123.803 0.841 . . . . 0.0 110.595 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.9 tp -148.55 138.29 22.16 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 172.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.0 t70 56.05 3.62 0.1 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.781 1.232 . . . . 0.0 113.162 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.92 7.38 44.4 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.651 ' HD3' HG23 ' A' ' 22' ' ' THR . 5.6 ptt-85 -107.67 -157.93 0.63 Allowed 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.137 0.975 . . . . 0.0 109.393 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -113.97 170.34 8.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.2 mt -132.59 150.64 52.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -140.48 144.06 35.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 72' ' ' MET . 2.3 p -163.93 134.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -163.58 171.53 15.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 24.1 mmt -63.62 162.9 12.21 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.533 0.206 . . . . 0.0 110.624 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HA ' ' H42' ' B' ' 103' ' ' ' C' . . . -115.04 179.68 3.88 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 111.596 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -138.58 179.01 6.72 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 124.14 0.976 . . . . 0.0 109.852 -177.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 50.11 -153.18 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.893 0.477 . . . . 0.0 110.697 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.19 -46.59 0.05 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -158.34 150.35 17.35 Favored Pre-proline 0 N--CA 1.451 -0.391 0 C-N-CA 125.56 1.544 . . . . 0.0 107.529 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.615 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 52.3 Cg_exo -47.89 137.75 21.71 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 125.007 3.805 . . . . 0.0 111.821 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.78 -31.25 5.39 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.897 2.398 . . . . 0.0 111.196 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -169.68 111.76 0.47 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.705 0.802 . . . . 0.0 109.494 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.2 m -150.33 2.86 0.49 Allowed 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -148.78 166.11 29.43 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.181 0.446 . . . . 0.0 110.785 -175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -147.27 170.36 17.44 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.427 0.691 . . . . 0.0 110.443 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.024 179.383 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.82 4.62 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.409 ' H42' ' HA ' ' A' ' 90' ' ' ALA . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C5'-C4'-C3' 110.086 -3.609 . 0.411 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.615 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 N19-C1'-C2' 107.456 -3.715 . 0.014 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.492 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.667 2 O4'-C1'-N19 115.517 7.317 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C3'-C2'-C1' 104.174 2.971 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 114.613 6.413 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.404 0.145 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -148.16 -25.63 0.34 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 122.687 0.395 . . . . 0.0 110.604 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -146.32 172.27 13.75 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.11 0.964 . . . . 0.0 109.057 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.07 173.35 44.12 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -52.39 151.56 7.28 Favored Pre-proline 0 N--CA 1.447 -0.577 0 C-N-CA 123.818 0.847 . . . . 0.0 111.838 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 73.7 Cg_endo -72.2 157.29 54.14 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.066 3.177 . . . . 0.0 110.14 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.21 162.01 41.6 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.664 2.909 . . . . 0.0 110.194 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -83.2 24.91 0.71 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 124.292 3.328 . . . . 0.0 112.882 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -137.36 14.16 3.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.55 -9.97 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.538 0.735 . . . . 0.0 111.164 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.24 12.54 16.51 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.019 0.528 . . . . 0.0 110.823 -176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.31 9.7 6.21 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtm -145.01 175.47 10.21 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.707 0.803 . . . . 0.0 110.219 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.4 m -58.53 160.16 5.72 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.833 0.853 . . . . 0.0 110.129 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -149.95 132.03 15.33 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 6.4 tp -137.78 95.01 2.97 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.744 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HE3' ' C6 ' ' B' ' 103' ' ' ' C' . 13.3 ptmm? -69.94 160.37 32.0 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.923 0.392 . . . . 0.0 111.078 178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HB ' HG22 ' A' ' 60' ' ' VAL . 54.2 t -141.99 132.8 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.567 0.747 . . . . 0.0 109.785 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -155.99 -178.49 7.34 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.0 t30 90.2 -0.08 0.24 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.668 2.387 . . . . 0.0 114.156 170.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.887 ' H ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -57.81 171.78 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.705 0.684 . . . . 0.0 112.302 176.454 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 p -72.88 167.1 21.68 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.473 0.654 . . . . 0.0 112.575 -173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -74.16 10.13 1.35 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.288 174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -124.6 -12.99 7.13 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.717 0.807 . . . . 0.0 111.552 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 m -68.05 165.24 18.41 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.6 m -136.84 156.59 75.89 Favored Pre-proline 0 C--O 1.233 0.193 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.45 -18.07 43.75 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.946 2.431 . . . . 0.0 112.056 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 -31.73 48.14 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.23 -50.28 55.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.13 -32.42 73.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.27 -45.97 89.77 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -82.54 -39.15 22.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.654 0.264 . . . . 0.0 110.756 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.58 -32.02 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.182 0.993 . . . . 0.0 111.292 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 36.0 m-85 -107.27 -10.08 15.91 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 118.164 0.438 . . . . 0.0 112.149 -175.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.24 -25.07 65.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.496 0.189 . . . . 0.0 110.851 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -74.38 -21.6 59.58 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.99 -14.36 59.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.178 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.97 -61.57 0.47 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-O 119.388 -0.674 . . . . 0.0 113.75 171.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.17 90.42 1.27 Allowed 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.054 0.927 . . . . 0.0 113.198 -175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.01 62.36 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.454 1.102 . . . . 0.0 108.556 168.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.23 -20.36 9.66 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.976 1.274 . . . . 0.0 113.344 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -153.12 156.67 39.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.954 0.877 . . . . 0.0 109.447 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.37 124.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 C-N-CA 124.052 0.941 . . . . 0.0 108.711 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -151.52 167.8 26.89 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.5 -176.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 52.3 mt -142.86 91.34 7.3 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 124.251 1.02 . . . . 0.0 108.252 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.35 17.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.445 1 C-N-CA 125.471 4.114 . . . . 0.0 115.003 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 37.2 ptt180 -41.72 -63.11 0.77 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.886 0.766 . . . . 0.0 112.11 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.496 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 7.1 t70 -163.73 -175.71 4.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 18.2 ttp180 -139.06 7.28 2.43 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.987 0.422 . . . . 0.0 110.845 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -137.12 -11.76 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.56 0.744 . . . . 0.0 111.259 176.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.1 p -130.32 -14.05 3.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.19 0.596 . . . . 0.0 110.776 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt 27.69 53.77 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 127.366 2.266 . . . . 0.0 114.259 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -140.47 -5.62 1.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.7 m -79.52 39.42 0.4 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.549 0.613 . . . . 0.0 111.177 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.57 14.81 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.659 1.584 . . . . 0.0 114.426 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.01 0.99 9.05 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.397 -0.668 . . . . 0.0 113.386 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -158.93 178.58 9.93 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.33 1.065 . . . . 0.0 110.76 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.96 -173.61 4.54 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.774 0.83 . . . . 0.0 109.758 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.57 91.79 1.69 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.104 0.562 . . . . 0.0 109.764 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG22 ' HB ' ' A' ' 18' ' ' VAL . 15.0 m -97.09 160.66 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.6 ttp-105 -140.35 146.98 39.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.244 0.545 . . . . 0.0 111.358 -176.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -116.09 161.42 18.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.335 171.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -136.37 17.76 3.16 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.73 134.13 40.69 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -61.67 -36.91 82.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -69.98 -41.0 75.01 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.589 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.16 -25.76 39.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.29 55.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 122.489 -0.132 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.32 -33.16 69.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.348 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -71.65 -38.36 70.71 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.734 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 119.465 -0.302 . . . . 0.0 111.212 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.54 -28.09 20.98 Favored 'General case' 0 N--CA 1.458 -0.061 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.588 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.54 -9.42 49.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.921 -0.487 . . . . 0.0 111.19 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 -5.78 3.06 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 87' ' ' VAL . 5.0 mmt -124.66 -20.62 5.03 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -75.52 61.4 1.29 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.874 1.215 . . . . 0.0 111.542 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -5.46 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 123.884 0.754 . . . . 0.0 111.863 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.23 -178.99 1.45 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.565 0.746 . . . . 0.0 111.524 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -136.38 127.47 42.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.544 0.738 . . . . 0.0 109.264 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -77.49 -54.25 6.65 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -148.75 -15.64 0.32 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.9 22.64 0.02 OUTLIER Glycine 0 CA--C 1.528 0.853 0 CA-C-N 118.654 0.661 . . . . 0.0 113.863 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -135.19 -149.53 0.35 Allowed 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.412 1.085 . . . . 0.0 108.889 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -120.8 165.68 14.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.892 0.477 . . . . 0.0 110.076 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.65 158.32 38.86 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -138.67 138.43 37.78 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 122.689 0.396 . . . . 0.0 110.636 -173.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' MET . 66.1 t -152.34 118.1 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.271 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -158.79 168.33 27.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.752 0.31 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 22.3 mmt -66.46 148.68 51.53 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 110.526 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.39 179.58 5.76 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.72 0.295 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -138.67 -7.49 1.46 Allowed 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.112 0.565 . . . . 0.0 112.488 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -131.33 178.2 6.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.49 0.716 . . . . 0.0 110.521 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.69 19.91 6.54 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 122.43 147.53 0.0 OUTLIER Pre-proline 0 C--N 1.341 0.201 0 C-N-CA 131.299 3.839 . . . . 0.0 108.912 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.521 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 36.5 Cg_endo -59.94 143.31 99.6 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 125.171 3.914 . . . . 0.0 110.854 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.83 -11.98 21.86 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.033 3.155 . . . . 0.0 112.211 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -153.12 160.57 42.91 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.3 m -58.16 -34.78 70.66 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 -163.49 171.42 15.91 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 122.075 -0.391 . . . . 0.0 110.521 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -143.39 8.63 1.59 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.658 0.383 . . . . 0.0 111.5 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.749 -179.071 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.588 0 C5'-C4'-C3' 111.397 -2.735 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.459 ' C6 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C3'-C2'-C1' 104.721 3.579 . 0.085 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.521 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 N19-C1'-C2' 107.126 -3.921 . 0.307 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.422 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.429 2 O4'-C1'-N19 115.806 7.606 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . 0.422 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 C5'-C4'-C3' 111.278 -2.815 OUTLIER-EPSILON 0.021 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 1 O4'-C1'-N19 112.376 4.176 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -158.12 -12.07 0.08 Allowed 'General case' 0 N--CA 1.461 0.084 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 54.32 -170.22 0.06 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.062 0.945 . . . . 0.0 112.484 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.59 169.62 38.67 Favored Glycine 0 C--N 1.334 0.466 0 CA-C-O 121.352 0.418 . . . . 0.0 112.719 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' HD2' ' C6 ' ' B' ' 107' ' ' ' U' . 0.0 OUTLIER -60.01 159.4 20.92 Favored Pre-proline 0 N--CA 1.448 -0.548 0 C-N-CA 124.389 1.075 . . . . 0.0 112.647 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HD3' ' C6 ' ' B' ' 106' ' ' ' G' . 60.5 Cg_endo -68.86 165.81 28.56 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.995 3.797 . . . . 0.0 110.611 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -66.38 154.98 72.21 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.982 2.455 . . . . 0.0 110.883 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -79.06 18.2 1.07 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 124.901 3.734 . . . . 0.0 113.023 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -136.81 16.2 3.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.263 0.483 . . . . 0.0 111.969 -173.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.8 -16.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 O-C-N 121.995 -0.44 . . . . 0.0 111.485 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.51 -7.93 54.65 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.455 0.702 . . . . 0.0 111.929 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.69 20.93 4.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 123.42 0.533 . . . . 0.0 112.601 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 71.3 mtm -141.46 164.52 30.0 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 117.739 0.769 . . . . 0.0 110.527 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -77.58 177.27 8.2 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 122.843 0.457 . . . . 0.0 110.24 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -147.36 135.61 21.57 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.501 0.721 . . . . 0.0 110.049 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 1.6 tm? -133.52 93.39 3.13 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 122.706 0.402 . . . . 0.0 110.394 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 60' ' ' VAL . 48.4 tttp -69.02 154.83 41.39 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.068 1.347 . . . . 0.0 111.903 -179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.6 t -138.35 135.62 44.28 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 125.259 1.424 . . . . 0.0 108.067 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.86 177.91 10.96 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 t30 85.38 12.41 0.23 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.029 2.131 . . . . 0.0 114.523 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -59.63 174.62 0.43 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.126 0.876 . . . . 0.0 112.515 178.348 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.7 p -78.83 169.67 17.86 Favored 'General case' 0 C--O 1.227 -0.124 0 CA-C-O 121.51 0.671 . . . . 0.0 111.973 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -77.23 11.17 2.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.083 175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -126.79 -16.43 5.2 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 123.684 0.794 . . . . 0.0 111.891 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 21' ' ' LEU . 84.9 m -74.54 167.08 22.44 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -140.85 162.02 50.85 Favored Pre-proline 0 CA--C 1.528 0.132 0 O-C-N 122.118 -0.364 . . . . 0.0 110.361 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.55 -17.08 43.41 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.159 1.906 . . . . 0.0 111.116 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.68 -43.24 72.89 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -66.34 -51.74 54.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.587 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.567 ' HA ' HG22 ' A' ' 33' ' ' VAL . 25.9 mt -58.21 -26.6 63.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.961 -172.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -68.88 -42.11 77.4 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 118.222 0.464 . . . . 0.0 110.572 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -86.79 -41.91 13.72 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -175.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG22 ' HA ' ' A' ' 30' ' ' LEU . 15.8 m -67.12 -24.73 32.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 123.771 0.828 . . . . 0.0 111.473 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.0 m-85 -96.8 -16.8 20.62 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 118.26 0.482 . . . . 0.0 112.293 174.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.18 -30.51 37.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.129 0.422 . . . . 0.0 111.841 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -71.97 -21.59 61.56 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -84.45 -16.13 43.63 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 122.449 0.3 . . . . 0.0 110.773 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.7 -160.1 27.36 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -61.42 90.36 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 40' ' ' VAL . 4.3 p -72.01 53.26 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 168.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.84 -8.23 5.51 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.166 1.365 . . . . 0.0 113.342 -174.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.53 145.79 27.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 117.458 0.629 . . . . 0.0 109.556 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 60' ' ' VAL . 1.5 p -153.77 107.41 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -137.24 165.67 25.58 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.8 mt -140.42 96.97 7.66 Favored Pre-proline 0 CA--C 1.531 0.247 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.48 20.83 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.526 1 C-N-CA 126.818 5.012 . . . . 0.0 116.841 178.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -48.05 145.46 3.07 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 118.804 0.729 . . . . 0.0 110.403 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -54.06 125.17 17.9 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 62.5 ttt-85 -62.84 5.22 0.13 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.58 1.552 . . . . 0.0 113.68 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -143.96 -8.32 0.71 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.1 p -139.15 -22.48 0.92 Allowed 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 118.087 0.403 . . . . 0.0 111.662 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 46.28 24.57 0.29 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.934 1.694 . . . . 0.0 114.317 174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.45 22.51 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.246 1.018 . . . . 0.0 113.067 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -133.67 38.08 3.26 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -170.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -59.67 -6.64 1.22 Allowed 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.398 1.079 . . . . 0.0 112.756 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.8 4.93 4.95 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 119.198 -0.779 . . . . 0.0 114.626 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -159.13 176.4 12.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.254 1.527 . . . . 0.0 111.626 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.27 -173.33 4.47 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.924 0.89 . . . . 0.0 110.82 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' CZ ' ' C4 ' ' B' ' 104' ' ' ' C' . 0.5 OUTLIER -148.9 60.54 1.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.32 1.448 . . . . 0.0 108.834 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 34.8 t -71.42 147.51 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 171.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 17.4 ttp-105 -141.17 143.85 34.46 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 112.305 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -109.08 161.61 15.02 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.241 171.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -126.29 15.53 7.77 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.194 0.598 . . . . 0.0 112.366 -174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -140.01 141.98 36.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.245 0.475 . . . . 0.0 110.223 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -60.25 -37.78 81.47 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -73.9 -37.5 64.64 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 119.046 0.839 . . . . 0.0 110.601 -173.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -76.55 -31.51 57.63 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.2 67.28 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 122.853 0.461 . . . . 0.0 111.531 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -31.98 66.34 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 122.049 -0.407 . . . . 0.0 111.726 -177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -74.72 -38.28 62.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.66 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.83 72.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.804 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -88.59 -29.68 19.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 118.724 0.693 . . . . 0.0 110.494 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -67.79 -9.7 46.45 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.187 -0.32 . . . . 0.0 111.324 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.42 -6.32 3.33 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.442 ' HB2' HG21 ' A' ' 87' ' ' VAL . 6.6 mmt -120.78 -23.06 6.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.729 0.695 . . . . 0.0 112.625 174.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.8 125.63 26.88 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.739 1.154 . . . . 0.0 109.655 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.45 1.68 88.84 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.316 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 -174.54 0.76 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.7 0.75 . . . . 0.0 111.49 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -135.67 148.32 28.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.31 -53.32 2.67 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.096 0.559 . . . . 0.0 109.797 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -140.97 -3.65 1.23 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 153.44 -13.5 0.6 Allowed Glycine 0 C--N 1.341 0.836 0 O-C-N 122.089 -0.382 . . . . 0.0 112.681 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -91.74 -155.68 0.42 Allowed 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 117.662 0.731 . . . . 0.0 109.773 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 167.98 10.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.392 0.677 . . . . 0.0 109.68 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.89 156.17 49.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -141.57 144.83 34.46 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -174.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 16' ' ' LEU . 58.2 t -153.44 125.09 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 124.281 1.032 . . . . 0.0 108.249 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -165.06 165.05 20.29 Favored 'General case' 0 C--O 1.227 -0.095 0 CA-C-N 117.817 0.28 . . . . 0.0 110.632 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.4 mmt -62.87 153.86 31.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.609 0.364 . . . . 0.0 110.974 -177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.4 174.18 5.1 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -127.46 -12.93 5.54 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.33 0.652 . . . . 0.0 112.646 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -149.56 165.27 32.73 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.12 0.418 . . . . 0.0 110.294 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.24 -37.94 54.41 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.546 ' HB2' ' HD2' ' A' ' 95' ' ' PRO . 4.3 ppt_? 159.0 167.73 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 129.807 3.243 . . . . 0.0 109.393 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.655 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 35.6 Cg_exo -54.69 145.26 60.85 Favored 'Trans proline' 0 N--CA 1.456 -0.685 1 C-N-CA 125.69 4.26 . . . . 0.0 112.365 -172.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.7 -44.16 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.97 2.447 . . . . 0.0 113.107 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -155.41 25.48 0.41 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.081 0.553 . . . . 0.0 111.913 -172.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.5 m -65.63 2.21 1.03 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -145.04 165.39 28.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.814 0.734 . . . . 0.0 111.314 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -149.22 160.78 43.08 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.55 0.74 . . . . 0.0 109.744 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.251 1.172 0 CA-C-O 117.082 -1.437 . . . . 0.0 110.24 -179.526 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-C3' 111.464 -2.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C5'-C4'-C3' 112.539 -1.974 . 0.069 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.655 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.076 1 N19-C1'-C2' 106.147 -4.533 . 0.024 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.418 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.483 2 O4'-C1'-N19 115.906 7.706 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . 0.45 ' C6 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 C3'-C2'-C1' 103.805 2.562 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . 0.423 ' C6 ' ' HD2' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 113.625 5.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -148.32 171.8 15.41 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 122.824 0.45 . . . . 0.0 110.519 -177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 47.16 33.5 2.5 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.514 1.126 . . . . 0.0 112.176 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 169.51 28.67 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ptm85 -54.49 148.95 22.67 Favored Pre-proline 0 N--CA 1.454 -0.24 0 C-N-CA 123.822 0.849 . . . . 0.0 111.198 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 60.2 Cg_endo -71.08 157.7 57.01 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 124.417 3.412 . . . . 0.0 111.035 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.98 160.99 33.32 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 123.642 2.895 . . . . 0.0 111.291 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.83 31.22 0.48 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 124.797 3.665 . . . . 0.0 111.348 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 11' ' ' GLU . 25.6 t0 -132.91 21.1 4.15 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.614 0.366 . . . . 0.0 111.724 -171.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.79 16.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.964 0.905 . . . . 0.0 113.023 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 9' ' ' ASP . 40.3 mt-10 -125.25 10.24 8.02 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.795 0.838 . . . . 0.0 110.153 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.82 43.35 0.71 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.505 ' HG2' ' H ' ' A' ' 15' ' ' SER . 55.8 ttm -132.51 145.51 51.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.985 0.914 . . . . 0.0 110.539 -169.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.5 m -70.14 -28.69 65.56 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.595 0.358 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.505 ' H ' ' HG2' ' A' ' 13' ' ' MET . 39.6 m 46.82 50.16 13.68 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 125.574 1.549 . . . . 0.0 113.949 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.85 96.35 3.09 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.711 -0.618 . . . . 0.0 110.153 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HE3' ' C6 ' ' B' ' 103' ' ' ' C' . 1.0 OUTLIER -70.73 155.12 41.17 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.993 0.36 . . . . 0.0 111.221 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 77.6 t -140.33 135.13 35.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.045 0.938 . . . . 0.0 109.368 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -157.12 -174.9 5.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.127 0.971 . . . . 0.0 112.337 -171.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 74.57 6.66 4.52 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.696 1.999 . . . . 0.0 114.683 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -61.62 175.09 0.66 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.879 0.763 . . . . 0.0 111.148 173.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 p -80.03 166.45 21.55 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 121.042 0.448 . . . . 0.0 111.988 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -77.91 -4.33 46.27 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.815 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -97.85 -18.7 18.57 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.702 0.801 . . . . 0.0 111.122 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 26' ' ' SER . 78.2 m -71.11 167.49 19.19 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 74.4 m -141.62 161.08 53.98 Favored Pre-proline 0 CA--C 1.528 0.108 0 C-N-CA 122.933 0.493 . . . . 0.0 109.873 -177.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 59.7 Cg_endo -69.81 -18.15 36.96 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 122.655 2.236 . . . . 0.0 111.678 -175.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.86 -31.18 51.27 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.48 -50.48 44.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.65 -32.09 73.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.45 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -59.92 -44.86 94.07 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -82.8 -38.84 22.55 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 117.835 0.289 . . . . 0.0 111.291 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.71 -33.94 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.276 1.03 . . . . 0.0 110.864 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 37.9 m-85 -104.31 -11.42 17.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.09 -21.38 64.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.67 -19.05 61.5 Favored 'General case' 0 CA--C 1.529 0.173 0 O-C-N 121.876 -0.515 . . . . 0.0 112.144 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -87.04 -13.44 44.35 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.401 0.68 . . . . 0.0 111.124 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.65 21.36 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -176.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -64.46 120.45 12.31 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.74 -17.12 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.928 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.29 -58.86 1.93 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 124.875 1.226 . . . . 0.0 111.884 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -151.73 159.11 44.09 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.865 0.866 . . . . 0.0 109.094 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.96 122.69 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -145.82 166.59 25.5 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.1 mt -143.92 93.21 6.16 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 124.672 1.189 . . . . 0.0 107.92 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -62.34 16.59 0.05 OUTLIER 'Trans proline' 0 CA--C 1.531 0.356 1 C-N-CA 125.617 4.211 . . . . 0.0 115.259 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 31.1 ptt180 -41.19 -62.42 0.84 Allowed 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.8 0.84 . . . . 0.0 113.123 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' H ' ' HG3' ' A' ' 47' ' ' ARG . 6.5 m-20 -154.02 -179.49 7.92 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.168 0.987 . . . . 0.0 109.022 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HD3' " H1'" ' B' ' 105' ' ' ' A' . 44.1 ptt85 -134.64 16.35 3.63 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.47 0.176 . . . . 0.0 110.828 172.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -137.52 -21.15 1.16 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.244 0.618 . . . . 0.0 112.237 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -136.01 -10.31 2.02 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 122.717 0.407 . . . . 0.0 112.055 -174.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 32.06 61.38 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.993 1.717 . . . . 0.0 113.273 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -140.91 -8.52 1.04 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 t -78.47 39.68 0.34 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.765 0.712 . . . . 0.0 111.057 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -65.41 15.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.517 1.527 . . . . 0.0 114.311 -174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.06 -3.29 16.63 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.223 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -154.49 -176.35 5.85 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.175 0.987 . . . . 0.0 110.057 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HD21 ' A' ' 21' ' ' LEU . . . -154.36 -176.9 6.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.338 0.655 . . . . 0.0 110.042 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -147.98 75.75 1.35 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.184 0.994 . . . . 0.0 109.042 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -76.16 148.44 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -148.75 106.04 3.63 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 118.733 0.697 . . . . 0.0 112.302 -171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -79.53 164.38 23.93 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 122.7 0.4 . . . . 0.0 110.465 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -122.79 -6.13 8.55 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.142 0.577 . . . . 0.0 112.479 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -123.19 143.48 49.99 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 118.161 0.437 . . . . 0.0 111.18 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -60.19 -48.49 81.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.425 0.69 . . . . 0.0 112.613 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -73.9 -35.9 64.71 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 117.88 0.309 . . . . 0.0 111.77 -172.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.62 -30.52 67.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.34 -39.09 23.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.96 -30.19 68.57 Favored 'General case' 0 C--O 1.225 -0.223 0 O-C-N 121.779 -0.576 . . . . 0.0 111.243 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -76.22 -38.65 56.14 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.578 0.626 . . . . 0.0 110.29 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.98 70.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.557 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -91.24 -26.33 19.06 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 110.998 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -72.18 -9.48 58.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.111 0.164 . . . . 0.0 111.063 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.08 -9.75 3.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.427 ' HB2' HG11 ' A' ' 87' ' ' VAL . 6.0 mmt -115.18 -22.45 9.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.105 0.866 . . . . 0.0 112.909 174.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.35 125.34 23.81 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 119.834 1.197 . . . . 0.0 110.222 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 4.05 72.13 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.62 -0.544 . . . . 0.0 112.795 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.95 -178.22 1.19 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.897 0.848 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -141.74 149.56 19.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' H ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -140.7 -7.19 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 176.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.4 7.99 0.26 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.432 0.56 . . . . 0.0 111.805 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.05 5.3 44.08 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.551 -0.583 . . . . 0.0 111.883 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -106.82 -149.21 0.43 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -124.57 165.57 17.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 80' ' ' LEU . 83.3 mt -135.63 154.47 51.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -142.69 146.0 33.96 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.673 0.749 . . . . 0.0 111.642 -173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 75' ' ' MET . 2.4 p -164.04 135.12 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.129 176.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -169.3 171.65 7.75 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.57 158.67 20.53 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.96 -173.42 2.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.162 0.506 . . . . 0.0 112.219 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -131.62 175.11 9.45 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.404 1.081 . . . . 0.0 109.063 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 51.57 -165.52 0.05 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.376 0.608 . . . . 0.0 111.347 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -114.47 -35.99 1.36 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 107.166 -2.374 . . . . 0.0 107.166 167.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -170.37 161.89 6.25 Favored Pre-proline 0 N--CA 1.448 -0.529 0 C-N-CA 126.883 2.073 . . . . 0.0 105.54 169.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.562 ' CG ' " H3'" ' B' ' 104' ' ' ' C' . 30.7 Cg_endo -55.62 141.06 84.24 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 124.404 3.403 . . . . 0.0 111.553 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.26 -6.99 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.846 3.031 . . . . 0.0 111.822 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -143.96 -171.67 3.6 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.71 1.204 . . . . 0.0 109.213 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.0 p -133.01 38.33 3.37 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.412 0.285 . . . . 0.0 111.396 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 45.38 52.08 9.14 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.169 0.588 . . . . 0.0 112.453 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -52.16 156.33 1.66 Allowed 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.784 0.834 . . . . 0.0 112.171 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.433 -1.27 . . . . 0.0 110.147 179.821 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.486 0 C5'-C4'-C3' 111.345 -2.77 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.457 ' C6 ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 111.098 -2.934 . 0.066 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.562 " H3'" ' CG ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C5'-C4'-C3' 110.157 -3.562 . 0.124 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.546 " H1'" ' HD3' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.673 2 O4'-C1'-N19 114.747 6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . 0.413 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 N19-C1'-C2' 108.417 -3.114 . 0.024 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 1 O4'-C1'-N19 114.745 6.545 . 0.019 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -145.55 11.09 1.27 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 122.883 0.473 . . . . 0.0 111.712 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -140.79 175.87 9.26 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.088 0.555 . . . . 0.0 110.295 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.99 174.28 41.6 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 -177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -58.23 153.1 38.38 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.036 0.934 . . . . 0.0 111.527 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' C5 ' ' B' ' 106' ' ' ' G' . 72.5 Cg_endo -73.69 157.88 47.72 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 124.239 3.293 . . . . 0.0 110.619 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.59 146.43 53.69 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.701 2.934 . . . . 0.0 111.92 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -77.88 6.57 4.48 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.07 3.18 . . . . 0.0 111.818 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -142.87 21.52 1.96 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.16 0.584 . . . . 0.0 111.246 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.26 -20.02 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.201 1.0 . . . . 0.0 111.957 178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.16 -6.99 51.0 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.47 0.708 . . . . 0.0 112.555 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.8 30.25 3.79 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.91 0.767 . . . . 0.0 112.996 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.4 mtm -134.61 173.32 11.8 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 117.93 0.865 . . . . 0.0 110.858 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -56.46 -33.82 66.29 Favored 'General case' 0 N--CA 1.461 0.089 0 C-N-CA 123.227 0.611 . . . . 0.0 111.751 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.1 m 40.76 47.56 2.5 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.831 1.252 . . . . 0.0 113.562 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 87' ' ' VAL . 9.7 tp -68.6 92.67 0.47 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.04 0.536 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.612 ' HE2' ' C6 ' ' B' ' 103' ' ' ' C' . 11.7 pttp -70.25 164.01 25.26 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.777 0.717 . . . . 0.0 111.469 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 34' ' ' PHE . 76.7 t -143.75 134.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 124.383 1.073 . . . . 0.0 109.053 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -153.41 177.25 11.1 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.518 0.727 . . . . 0.0 112.533 -173.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 91.23 21.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.739 2.016 . . . . 0.0 113.622 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.2 OUTLIER -58.84 175.84 0.24 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.63 0.772 . . . . 0.0 113.027 177.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 p -84.33 167.93 16.08 Favored 'General case' 0 CA--C 1.524 -0.058 0 CA-C-O 121.551 0.691 . . . . 0.0 111.07 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -70.87 9.14 0.73 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.603 0.761 . . . . 0.0 111.786 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -133.16 -7.39 3.02 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.088 0.955 . . . . 0.0 112.325 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.445 ' HB ' HD22 ' A' ' 21' ' ' LEU . 93.7 m -70.22 162.35 28.58 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' HB3' ' HD2' ' A' ' 27' ' ' PRO . 69.9 m -139.31 160.21 62.99 Favored Pre-proline 0 C--O 1.233 0.231 0 C-N-CA 123.445 0.698 . . . . 0.0 109.942 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 26' ' ' SER . 69.4 Cg_endo -72.22 -16.41 28.27 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.46 2.106 . . . . 0.0 111.635 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.39 -31.46 42.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -50.22 53.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.0 -30.94 71.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -61.26 -44.68 96.84 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -81.17 -39.97 24.67 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 122.329 -0.232 . . . . 0.0 110.854 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.2 -33.87 48.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 123.993 0.917 . . . . 0.0 111.207 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' CZ ' HG11 ' A' ' 18' ' ' VAL . 38.3 m-85 -103.63 -11.2 17.84 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -68.26 -21.41 64.81 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 117.805 0.275 . . . . 0.0 111.695 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -73.15 -20.16 60.97 Favored 'General case' 0 C--O 1.228 -0.064 0 O-C-N 121.83 -0.544 . . . . 0.0 111.795 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -85.47 -14.26 46.61 Favored 'General case' 0 N--CA 1.458 -0.034 0 C-N-CA 123.231 0.612 . . . . 0.0 111.49 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.12 -175.05 23.44 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 108.349 -1.9 . . . . 0.0 108.349 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.27 119.46 10.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 m -58.52 -15.82 6.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.13 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.31 -56.89 2.84 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 124.554 1.073 . . . . 0.0 112.163 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -156.81 163.58 39.06 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.813 0.845 . . . . 0.0 108.784 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.8 p -152.7 127.4 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -150.88 155.44 39.17 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.906 0.384 . . . . 0.0 111.841 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -141.21 95.04 7.54 Favored Pre-proline 0 N--CA 1.456 -0.166 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HB3' " H4'" ' B' ' 104' ' ' ' C' . 90.0 Cg_endo -74.11 -6.07 17.93 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.377 3.385 . . . . 0.0 115.776 -165.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 47' ' ' ARG . 10.9 mmt-85 35.43 -125.8 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -171.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.1 130.37 20.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 168.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.529 ' HD2' " H1'" ' B' ' 105' ' ' ' A' . 8.8 ptm180 -71.44 16.04 0.11 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -168.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -138.83 -13.01 1.26 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -136.26 -11.19 1.93 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.72 0.408 . . . . 0.0 111.731 -174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 37.52 48.57 0.9 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.342 1.857 . . . . 0.0 114.065 174.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.95 5.84 3.1 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -85.51 35.69 0.62 Allowed 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.698 -0.626 . . . . 0.0 111.413 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -61.07 3.4 0.09 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.579 1.552 . . . . 0.0 112.859 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.23 -6.75 34.73 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 119.135 -0.814 . . . . 0.0 114.004 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -153.86 -179.55 7.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 119.173 1.487 . . . . 0.0 111.617 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.36 178.79 7.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.513 ' CE2' ' C6 ' ' B' ' 104' ' ' ' C' . 0.2 OUTLIER -150.93 62.27 0.92 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 21.5 t -75.3 148.37 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 171.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -152.09 109.09 3.52 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 119.894 1.224 . . . . 0.0 113.987 -173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -79.94 167.11 20.91 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.323 0.649 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -132.36 7.49 4.22 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.021 0.528 . . . . 0.0 112.188 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.14 134.37 45.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 122.736 0.414 . . . . 0.0 110.086 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.5 -34.24 75.17 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -172.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -76.56 -40.24 50.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.934 0.788 . . . . 0.0 110.939 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -70.92 -29.48 65.54 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.49 -41.95 19.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.76 -32.74 74.24 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.779 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -72.97 -38.54 66.68 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.527 175.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -31.47 71.97 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 119.265 -0.398 . . . . 0.0 111.525 -176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -91.25 -27.46 18.43 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 118.76 0.709 . . . . 0.0 110.794 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.9 -10.2 57.65 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.154 0.182 . . . . 0.0 111.036 177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.28 -9.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.5 mmt -115.93 -23.85 8.39 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.149 0.886 . . . . 0.0 113.208 174.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.99 120.68 11.86 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 120.006 1.275 . . . . 0.0 110.153 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.7 4.46 85.19 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.35 -172.35 0.91 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.551 0.676 . . . . 0.0 111.344 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -136.42 149.28 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.894 0.877 . . . . 0.0 109.137 -176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.0 tp -120.39 -60.05 1.71 Allowed 'General case' 0 C--O 1.231 0.125 0 C-N-CA 122.414 0.286 . . . . 0.0 111.599 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -118.05 -7.79 10.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.78 -14.85 1.56 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.248 0.452 . . . . 0.0 111.989 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 83' ' ' ARG . 0.9 OUTLIER -93.34 -160.76 0.78 Allowed 'General case' 0 C--N 1.341 0.219 0 CA-C-N 117.411 0.605 . . . . 0.0 109.456 176.307 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -106.75 169.73 8.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -136.36 156.53 48.5 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -144.95 154.32 42.46 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.457 0.646 . . . . 0.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 16' ' ' LEU . 2.2 p -170.02 131.59 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.472 -1.24 . . . . 0.0 108.877 -178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -169.69 165.26 10.08 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 122.91 0.484 . . . . 0.0 109.954 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.09 148.97 46.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.727 0.411 . . . . 0.0 111.194 -177.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.71 177.55 4.09 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.932 0.493 . . . . 0.0 111.612 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -141.96 -6.72 0.96 Allowed 'General case' 0 C--N 1.34 0.157 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.16 -177.89 4.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.104 0.562 . . . . 0.0 111.102 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.89 21.65 5.85 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.351 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 122.97 144.66 0.0 OUTLIER Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 130.786 3.634 . . . . 0.0 109.391 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.524 ' CD ' " H3'" ' B' ' 104' ' ' ' C' . 67.3 Cg_endo -70.25 129.94 17.91 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 125.137 3.891 . . . . 0.0 112.445 -174.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -83.23 179.22 5.25 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 123.961 3.107 . . . . 0.0 110.055 171.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.97 31.49 1.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.658 1.183 . . . . 0.0 114.118 174.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 m -134.68 -26.72 1.36 Allowed 'General case' 0 C--N 1.339 0.12 0 O-C-N 121.964 -0.46 . . . . 0.0 111.213 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -157.71 145.44 18.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -166.12 172.22 11.53 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.384 0.674 . . . . 0.0 109.736 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.319 -178.361 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 1 O4'-C1'-N19 114.151 5.951 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . 0.612 ' C6 ' ' HE2' ' A' ' 17' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 C5'-C4'-C3' 112.651 -1.9 . 0.469 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' C' . . . . . 0.524 " H3'" ' CD ' ' A' ' 95' ' ' PRO . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 N19-C1'-C2' 107.58 -3.637 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' A' . . . . . 0.529 " H1'" ' HD2' ' A' ' 49' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 O4'-C1'-N19 114.84 6.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . 0.433 ' C5 ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 112.169 3.969 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 1 O4'-C1'-N19 114.512 6.312 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 stop_ save_