data_2kdz_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 2kdz _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 ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.588 0.232 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.85 0.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 mttt 63.43 175.32 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 1.027 ' HE2' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER 60.39 176.79 0.09 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.006 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 5.6 t 170.27 171.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 37.5 mt-10 -62.5 -43.52 98.62 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.682 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -33.15 61.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.412 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.535 ' CG ' HH21 ' A' ' 42' ' ' ARG . 23.8 t70 -64.21 -39.19 93.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 86.8 mt -64.93 -35.26 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.007 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.82 -31.93 71.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.203 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.9 tp -55.74 -48.76 74.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -54.94 -38.81 68.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.076 0.465 . . . . 0.0 111.191 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.3 -43.02 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.632 HD23 HG22 ' A' ' 27' ' ' ILE . 6.4 mp -64.19 -44.46 91.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.573 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 12' ' ' LEU . 97.9 t -62.43 -39.57 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.141 0.496 . . . . 0.0 110.21 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -65.31 -38.03 88.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.535 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -84.79 -45.01 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CE2' ' HG ' ' A' ' 15' ' ' LEU . 20.9 m-85 -85.13 -34.75 22.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 -164.58 12.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.83 24.08 12.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.413 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 -32.87 0.4 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.768 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -79.43 50.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 0.0 110.564 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -69.04 -15.55 63.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.443 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.35 -28.04 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -40.31 94.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.594 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG22 HD23 ' A' ' 15' ' ' LEU . 75.4 mt -74.08 -30.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.484 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.6 m -68.12 -9.37 45.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.298 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.12 -23.11 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.409 0.623 . . . . 0.0 109.411 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 mt -95.93 -32.03 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.1 mtt -128.54 103.61 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -105.81 -13.89 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 111.634 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.95 15.55 1.78 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.119 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.552 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 25.9 ttm105 -141.81 148.24 38.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.891 0.377 . . . . 0.0 111.883 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 2.6 t-20 -63.18 122.26 74.33 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.55 -38.91 28.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.154 2.569 . . . . 0.0 113.252 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -24.14 65.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.015 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -74.32 -28.41 61.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.706 0.289 . . . . 0.0 111.274 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.552 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 21.5 m -65.41 -34.88 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -33.92 60.62 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.133 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -58.75 -40.62 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.649 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 1.027 ' HG3' ' HE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.02 -47.86 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.82 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.484 ' HE3' HD11 ' A' ' 47' ' ' ILE . 2.0 t-105 -56.46 -47.13 79.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.227 0.537 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -68.94 -26.17 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.111 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.51 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 37.6 m-80 -107.24 10.4 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -141.78 -50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.484 HD11 ' HE3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -98.98 -16.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 112.159 -177.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 50.6 t30 -79.97 -53.72 0.94 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.085 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 35.1 Cg_endo -100.77 -165.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.671 2.248 . . . . 0.0 112.762 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.79 60.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.238 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -75.07 79.89 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.133 0.492 . . . . 0.0 111.785 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -145.58 -156.17 0.68 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.044 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m 37.34 57.4 1.33 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.024 0.828 . . . . 0.0 112.608 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 71.12 162.79 0.15 Allowed Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.081 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -72.13 -148.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.515 2.144 . . . . 0.0 111.74 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HH2' ' HA ' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -83.63 163.05 20.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.146 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.14 163.03 41.73 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.233 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -54.42 -23.89 33.09 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.918 2.412 . . . . 0.0 112.255 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.63 -38.8 87.69 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.46 -36.54 52.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.59 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.5 -46.15 80.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mtt -80.81 -15.6 55.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.943 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -85.05 -42.31 14.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.23 -20.76 64.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.314 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.21 -44.31 95.25 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -84.74 -38.5 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.566 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -80.53 57.94 3.04 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 90.5 t80 -171.72 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.008 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -2.3 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.913 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -107.67 -32.24 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.3 m-85 -125.69 48.19 2.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.205 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 34.58 -138.65 0.19 Allowed Glycine 0 CA--C 1.523 0.576 0 O-C-N 124.226 0.954 . . . . 0.0 114.415 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 96.0 Cg_endo -93.02 36.46 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 12.7 mptt -78.52 55.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.23 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -50.91 -31.28 17.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -56.29 -38.2 70.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.333 0.587 . . . . 0.0 110.262 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 54.0 mmtt -84.2 -31.48 25.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.775 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 74' ' ' LYS . 26.7 mm -68.89 -36.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.633 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -64.33 -16.19 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 42.7 mttp -81.14 -24.62 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.99 -21.36 26.21 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.01 77.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.14 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.35 87.44 0.01 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.009 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 177.33 -37.35 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.3 156.54 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.51 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 1.8 m -113.34 178.04 4.42 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -78.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -11.26 2.26 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.431 ' HB2' HD21 ' A' ' 51' ' ' LEU . 16.3 t-20 -90.04 -46.31 8.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.794 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 86' ' ' SER . 77.8 mt -69.77 -45.93 75.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.425 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -56.73 -47.14 80.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -60.66 -48.22 82.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.264 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 1.4 mpp_? -68.28 -32.36 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.443 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 73.4 t-105 -64.07 -47.09 81.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.32 -33.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.33 -51.19 55.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.952 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.9 tp -66.96 -31.0 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.511 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.41 71.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.743 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -65.23 -27.47 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.467 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -94.66 -35.98 11.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.478 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -66.18 -38.87 89.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.299 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 0.87 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 31.8 mmtp 63.64 -168.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 5.9 p80 -146.57 100.62 3.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.402 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.08 145.9 49.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -158.2 -60.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.738 179.781 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.628 0.252 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.2 m -78.02 -5.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.234 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt 60.53 -176.04 0.11 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.548 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.672 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 1.6 t80 61.88 175.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.072 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.793 HG21 ' HG2' ' A' ' 8' ' ' GLU . 14.9 t 171.17 178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.324 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -58.51 -38.64 78.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.466 0.479 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.86 -41.1 97.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.793 ' HG2' HG21 ' A' ' 5' ' ' THR . 7.1 mm-40 -66.41 -36.43 82.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.69 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.69 -45.08 95.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.31 -39.5 93.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.262 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.38 -38.1 86.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 30.2 tp -58.82 -51.72 68.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -54.54 -33.87 60.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -81.79 -42.01 20.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.714 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 30' ' ' LEU . 5.3 mp -66.3 -42.1 88.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.553 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -33.56 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 109.63 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.7 ttt -68.48 -36.31 78.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.367 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -80.28 -47.2 14.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -89.5 -31.21 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.08 -177.79 18.83 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.49 30.4 2.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.79 -37.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.677 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 26' ' ' ARG . 7.0 t0 -82.19 59.17 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.426 ' HZ3' HD11 ' A' ' 12' ' ' LEU . 93.7 m95 -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 110.472 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 pt -68.9 -32.38 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 1.1 tpp180 -68.12 -26.88 66.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.52 -20.09 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.508 0.671 . . . . 0.0 109.292 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' MET . 5.0 m -71.58 -11.8 61.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.133 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -73.06 -24.27 60.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.214 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 15' ' ' LEU . 83.3 mt -102.61 -37.85 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' SER . 55.8 mtm -116.1 90.66 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.498 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tp -99.34 -20.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.86 13.91 9.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.094 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.672 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 15.6 ttm105 -133.58 139.85 46.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.46 113.6 9.37 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.92 -37.03 96.51 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.343 2.695 . . . . 0.0 112.132 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ttm105 -66.87 -28.15 68.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.658 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -81.01 -16.79 52.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -69.88 -30.6 68.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -70.31 -35.03 73.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.2 tt0 -69.17 -12.82 62.01 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -96.13 -54.02 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -42.7 76.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.969 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 48' ' ' ASN . 21.8 t30 -81.52 -5.8 58.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.619 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.557 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 19.3 m-20 -122.45 8.35 9.6 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -135.13 -53.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.09 -14.54 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 10.6 t30 -81.89 -56.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 55.7 Cg_endo -93.23 -171.53 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.139 1.893 . . . . 0.0 112.023 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.51 66.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.548 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -76.31 73.69 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.236 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HB3' ' H ' ' A' ' 53' ' ' THR . 74.6 mtp180 -137.4 -157.93 0.82 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.045 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.409 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 2.4 p 38.08 57.05 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 164.62 0.12 Allowed Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.77 -158.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.508 ' CZ2' ' HB3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.889 0.376 . . . . 0.0 110.981 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.29 160.44 42.57 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.123 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -54.14 -28.48 51.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.204 2.602 . . . . 0.0 112.816 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.17 -39.95 82.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.314 0.578 . . . . 0.0 109.532 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.38 -34.67 61.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.459 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -42.42 99.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.721 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.0 mtt -71.41 -39.05 71.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.7 -37.83 76.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.137 0.494 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD11 ' HZ3' ' A' ' 75' ' ' TRP . 35.1 tp -61.31 -42.12 98.14 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.503 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.92 -40.5 69.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.784 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -70.6 -50.35 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.799 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -65.78 -24.94 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 111.826 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -76.6 -29.54 56.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.797 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.13 -24.72 37.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.203 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -92.8 -43.18 9.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -92.42 -33.96 14.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.718 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.95 -164.52 18.49 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.1 34.29 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.983 2.455 . . . . 0.0 112.31 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.45 62.58 7.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 0.0 110.485 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.48 ' HZ3' HD11 ' A' ' 64' ' ' LEU . 62.2 m95 -49.57 -30.82 9.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -58.18 -36.9 73.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.168 0.508 . . . . 0.0 109.81 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 5.7 mptp? -82.05 -36.71 27.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.975 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.23 -45.01 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.552 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -62.02 -18.14 59.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.084 0.469 . . . . 0.0 111.926 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 45.2 mttp -78.68 -22.97 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -86.45 -20.23 28.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.15 96.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.0 tttt -68.78 80.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.251 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.3 t-20 167.52 -50.68 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.908 0.755 . . . . 0.0 111.923 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HD1' ' A' ' 56' ' ' TRP . 18.1 mmt180 -84.67 139.21 32.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.074 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 90' ' ' ILE . 4.4 p -109.65 176.66 4.99 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.231 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -71.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 2.8 t30 -54.87 -24.53 23.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -77.37 -51.69 10.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.508 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 86' ' ' SER . 62.7 mt -67.3 -44.82 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 O-C-N 123.02 0.2 . . . . 0.0 111.419 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.0 -39.27 81.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.742 0.306 . . . . 0.0 111.102 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -70.41 -45.49 65.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.074 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.508 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -64.09 -42.34 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.025 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.84 -45.43 90.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.495 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.69 -37.03 85.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.71 -50.27 31.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 tp -67.83 -32.68 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.08 75.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.911 0.386 . . . . 0.0 110.386 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -68.26 -28.29 67.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.32 -35.53 23.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.484 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 3.8 tpm_? -74.84 -28.75 60.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.54 0.42 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.261 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 27.7 mmtp 55.72 -157.78 0.23 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.427 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 3.2 p80 -161.5 102.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.084 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.8 147.97 52.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -150.45 -57.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 179.807 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.28 7.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.539 0.209 . . . . 0.0 111.493 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.2 mttt 64.93 173.98 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.42 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.824 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 65.43 173.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.957 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.824 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 8.9 t 176.89 165.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.02 -34.86 75.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -59.38 -44.28 92.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.235 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -29.13 67.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.572 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.25 -45.42 94.6 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 109.178 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.67 -41.71 92.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -64.47 -40.43 95.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.439 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.95 -48.99 72.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.09 -45.19 50.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.066 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG22 ' A' ' 27' ' ' ILE . 8.3 mp -64.57 -46.33 83.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.534 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.96 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-O 121.322 0.582 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.45 -35.63 73.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.138 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -77.35 -50.47 12.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.479 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -84.57 -42.97 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.02 -175.85 16.16 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.76 35.43 2.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -134.76 -50.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.73 84.68 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 0.0 112.3 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' A' ' 40' ' ' ARG . 25.8 m95 -83.85 -9.96 58.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.103 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.94 -43.39 97.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.318 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -65.34 -26.25 67.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.406 HG22 HD23 ' A' ' 15' ' ' LEU . 61.2 mt -82.84 -33.6 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -65.55 -13.72 59.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.814 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.65 -33.5 76.08 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.37 -44.43 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -92.81 87.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.906 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -94.89 -26.29 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.498 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.4 16.83 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.601 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -132.64 134.66 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.125 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 38' ' ' GLN . 1.3 t-20 -57.01 126.05 71.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.83 -42.59 56.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.741 2.294 . . . . 0.0 112.11 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 2.1 mp0 -74.06 -25.78 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 m -65.27 -29.66 70.46 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -78.95 -34.34 44.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.562 178.401 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.48 -43.41 93.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.391 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -44.25 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.5 -51.63 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -66.41 -20.57 66.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -107.81 -10.83 15.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -129.18 -41.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mt -93.13 -27.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.847 0.356 . . . . 0.0 111.561 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.571 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.2 t30 -79.54 -55.57 0.86 Allowed Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 47.5 Cg_endo -98.01 -179.72 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.482 2.121 . . . . 0.0 111.509 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.88 72.72 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.57 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 51' ' ' LEU . 2.5 pt? -67.17 91.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.432 0.634 . . . . 0.0 112.254 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -160.28 -149.92 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p 37.92 47.39 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.644 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 3.6 m-20 66.97 168.48 0.11 Allowed Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.644 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 60.0 Cg_endo -74.11 -149.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.024 1.816 . . . . 0.0 111.335 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.03 167.3 12.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.589 0.233 . . . . 0.0 110.416 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -90.22 166.22 20.83 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.52 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 49.7 Cg_exo -58.54 -16.41 29.71 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.652 2.235 . . . . 0.0 112.41 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.95 -43.17 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 15.3 mp0 -73.16 -35.81 66.52 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.002 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 7.2 t70 -60.5 -43.45 97.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.082 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.8 mtt -76.88 -32.21 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.058 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.15 -33.33 38.55 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 78' ' ' ILE . 1.5 mt -61.06 -41.87 97.42 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.85 -37.32 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.439 0.462 . . . . 0.0 111.223 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -70.92 -53.37 15.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -64.46 -30.73 71.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.126 0.489 . . . . 0.0 111.474 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -72.94 -29.6 63.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.61 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.08 -9.68 52.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.392 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -101.04 -50.97 3.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -87.56 -34.19 18.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.87 -171.66 18.24 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.18 63.03 6.92 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.562 2.174 . . . . 0.0 111.298 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -118.17 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 24.5 m95 -48.74 -26.0 2.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.633 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -54.15 -40.63 67.6 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.254 0.55 . . . . 0.0 109.853 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.69 -35.88 19.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.897 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.563 HG21 HD22 ' A' ' 64' ' ' LEU . 47.4 mm -60.75 -43.1 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -63.82 -15.63 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.14 0.495 . . . . 0.0 111.714 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.59 -31.3 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -84.71 -25.64 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.445 . . . . 0.0 109.805 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -111.85 88.55 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.6 tttt -69.37 82.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.985 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 6.8 t-20 -179.47 -40.88 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HD3' ' HA ' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -110.61 151.76 27.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.148 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.502 ' O ' HG13 ' A' ' 90' ' ' ILE . 7.9 p -107.46 174.95 5.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.045 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.02 -87.25 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -23.45 28.78 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -67.86 -49.91 59.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 86' ' ' SER . 69.1 mt -67.95 -37.99 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -55.84 -52.81 62.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.859 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.47 -44.44 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 1.2 mpp_? -64.15 -44.66 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.789 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -58.58 -44.15 89.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.064 0.459 . . . . 0.0 110.612 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.8 ttt -67.74 -40.66 84.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -67.09 -45.6 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.29 -41.71 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.506 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.3 72.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 99' ' ' ARG . 3.3 ttp85 -64.82 -29.8 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.976 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.09 -26.89 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.99 -32.1 45.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.54 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.4 -8.19 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.913 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp 59.92 -159.95 0.3 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 112.175 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -160.84 115.89 2.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.446 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.55 153.74 24.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -158.31 -74.99 0.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.483 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.541 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.36 -13.44 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 66.92 161.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.194 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 5' ' ' THR . 4.4 t80 65.85 175.12 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.959 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 10.6 t 172.83 178.67 0.09 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.948 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.36 -42.66 99.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.442 0.463 . . . . 0.0 111.519 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -53.48 -48.81 68.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.794 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -31.17 67.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.878 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.78 -48.59 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.227 0.537 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.91 -37.39 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.428 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.93 -35.81 82.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.586 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.414 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 16.4 tp -56.44 -48.93 75.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.54 -37.01 69.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.478 . . . . 0.0 110.805 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.679 HD23 HG22 ' A' ' 27' ' ' ILE . 6.1 mp -69.22 -42.97 75.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.469 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.24 -31.04 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 0.0 110.117 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.9 ttt -71.26 -34.39 70.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -84.49 -46.08 11.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -94.6 -18.63 21.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.48 -160.46 21.21 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.626 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.91 30.6 7.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.05 0.453 . . . . 0.0 110.503 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -131.55 -48.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.181 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.65 66.01 4.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.284 0.564 . . . . 0.0 111.5 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.451 ' NE1' ' HD3' ' A' ' 40' ' ' ARG . 90.5 m95 -77.9 -13.39 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.68 -38.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.251 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -25.53 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.451 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.679 HG22 HD23 ' A' ' 15' ' ' LEU . 80.1 mt -84.54 -22.76 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -79.3 1.02 26.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -74.93 -51.6 13.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.32 -30.23 60.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.46 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 mtt -108.73 92.36 4.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.645 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 tt -92.85 -33.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.103 0.478 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.36 20.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.89 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -134.03 131.21 38.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.93 126.92 82.52 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.27 -40.94 68.77 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.652 2.235 . . . . 0.0 111.895 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -68.72 -24.85 64.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.994 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.1 -28.9 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.65 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 m -66.49 -37.82 85.93 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HD3' ' NE1' ' A' ' 24' ' ' TRP . 13.1 ttp180 -67.79 -38.55 83.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.691 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 3.6 tt0 -66.33 -23.25 66.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.125 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.86 -61.3 2.02 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.491 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 2.8 t-105 -57.32 -44.94 84.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 51.3 t30 -65.86 -28.14 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 22.9 m-80 -109.44 2.94 20.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -126.86 -52.41 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -100.74 -12.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.666 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 64.3 t30 -79.83 -56.97 0.72 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 63.3 Cg_endo -94.46 -175.4 0.4 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.04 59.88 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.697 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 pt? -64.18 70.85 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.737 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' H ' ' A' ' 53' ' ' THR . 54.1 mtp180 -147.56 -148.1 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.433 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 0.8 OUTLIER 38.92 55.39 2.04 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.714 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 60.8 m-20 65.04 169.78 0.1 Allowed Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.926 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.714 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 62.9 Cg_endo -74.49 -157.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.182 1.921 . . . . 0.0 111.637 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 163.09 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.552 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.46 166.2 31.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.604 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.43 -25.98 68.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.794 2.33 . . . . 0.0 111.075 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.05 -38.77 89.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -69.08 -39.15 79.21 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.437 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.73 -43.79 85.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.275 0.559 . . . . 0.0 110.575 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.0 mtt -72.89 -42.76 63.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.914 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.1 tp -70.9 -42.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 6.3 mt -59.3 -39.8 84.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.08 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.97 -37.77 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.085 0.469 . . . . 0.0 110.384 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 35.5 tt0 -74.85 -50.13 18.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.369 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.79 -31.39 71.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -76.38 -30.23 57.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.228 0.537 . . . . 0.0 109.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.71 -8.25 59.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.272 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 46.4 mm-40 -108.01 -51.31 2.92 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -89.48 -30.15 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.722 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.04 -141.97 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -88.27 25.96 0.61 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.817 2.345 . . . . 0.0 111.621 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -77.7 56.94 1.56 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.529 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.738 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 47.8 m95 -55.39 -22.6 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.889 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -60.89 -39.61 89.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.65 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 1.8 mptp? -85.54 -32.58 22.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.752 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.738 ' HB ' ' HA ' ' A' ' 75' ' ' TRP . 25.0 mm -60.53 -42.85 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.302 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -64.39 -14.44 56.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.021 0.439 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.65 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 32.3 mttp -83.57 -26.03 30.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.421 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -85.88 -22.99 27.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.37 0.605 . . . . 0.0 109.368 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.83 76.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 83.6 tttt -58.69 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.964 -1.017 . . . . 0.0 112.14 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.3 t-20 172.36 -44.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.768 0.668 . . . . 0.0 111.724 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -103.05 151.28 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -109.98 175.96 5.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.714 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 3.8 t30 -55.63 -20.87 15.26 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -83.41 -45.31 13.83 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.316 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.58 -49.36 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' HD3' ' NE1' ' A' ' 75' ' ' TRP . 3.8 tpt85 -57.37 -38.61 74.47 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.998 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 16.0 t-20 -64.2 -53.75 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.24 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 1.4 tpp180 -68.12 -30.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.557 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.501 ' HZ3' ' HB3' ' A' ' 64' ' ' LEU . 69.3 t-105 -59.23 -48.53 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.6 ttt -73.64 -37.37 65.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.394 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 93' ' ' ARG . 1.7 tmt? -62.52 -47.79 82.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.493 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.53 -24.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.085 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.56 -32.79 73.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.975 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -64.81 -25.53 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -90.7 -34.89 15.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -66.89 -35.63 80.44 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.133 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.15 -0.12 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.956 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 51.42 -145.93 0.49 Allowed 'General case' 0 CA--C 1.529 0.165 0 O-C-N 123.569 0.543 . . . . 0.0 111.996 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -166.3 142.1 4.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.75 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -116.11 152.06 34.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -148.24 -64.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.255 179.81 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.816 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.816 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.566 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.424 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.566 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.503 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.503 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.56 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.446 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.686 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.452 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.603 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.424 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.566 0.222 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 m -84.49 3.1 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 111.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 62.39 172.11 0.13 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.805 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.583 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.67 -171.8 0.15 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.347 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.907 HG21 ' HG2' ' A' ' 8' ' ' GLU . 11.2 t 172.96 179.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.82 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 111.584 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.98 -35.16 79.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.329 . . . . 0.0 111.307 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.907 ' HG2' HG21 ' A' ' 5' ' ' THR . 6.7 mm-40 -76.81 -28.6 55.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.47 -45.55 88.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.063 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.49 -36.14 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.558 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HZ3' ' CD ' ' A' ' 8' ' ' GLU . 89.3 mttt -66.36 -34.54 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 37.2 tp -59.54 -49.63 77.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.29 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -55.72 -39.78 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.826 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.06 -45.67 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG22 ' A' ' 27' ' ' ILE . 6.4 mp -64.51 -41.79 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 12' ' ' LEU . 76.0 t -64.76 -31.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.219 0.533 . . . . 0.0 110.344 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.42 -37.27 71.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -85.36 -42.5 14.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.01 -41.44 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.89 -160.57 14.02 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 24.73 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 111.074 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -126.54 -47.26 1.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.387 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.78 62.79 4.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.168 0.509 . . . . 0.0 111.708 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -73.4 -16.61 61.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.44 -40.99 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.023 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -34.25 73.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.707 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HD23 ' A' ' 15' ' ' LEU . 64.1 mt -78.77 -30.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.857 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -67.65 -16.73 64.3 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.356 0.598 . . . . 0.0 110.782 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.17 -23.47 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.621 0.724 . . . . 0.0 109.784 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.2 mt -95.15 -47.0 6.55 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.6 mtt -99.54 90.45 4.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -100.15 -13.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.426 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.7 8.93 34.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.653 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.583 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 8.3 ttm105 -134.03 143.18 47.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.836 -0.165 . . . . 0.0 110.947 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.958 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 46.4 t-20 -61.3 120.9 59.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.25 -40.98 22.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.71 2.94 . . . . 0.0 113.472 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.2 -20.21 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.958 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 7.9 mm100 -73.63 -30.13 62.78 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.183 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.87 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -74.52 -43.89 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.802 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -64.99 -24.88 67.64 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.959 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' HG2' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.77 -56.56 4.5 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.275 179.462 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -40.36 77.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.193 0.52 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -66.38 -20.96 66.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.483 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' HD22 ' A' ' 51' ' ' LEU . 50.1 m-80 -121.03 7.65 10.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' HD2' HG22 ' A' ' 47' ' ' ILE . 71.4 t80 -122.5 -52.83 1.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.214 0.916 . . . . 0.0 112.927 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.401 HG22 ' HD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -109.0 -4.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 9.2 t30 -88.03 -55.12 0.34 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 49.9 Cg_endo -97.32 -176.45 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.442 2.095 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.3 62.35 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -73.44 78.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.3 0.572 . . . . 0.0 112.386 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -153.58 0.5 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.763 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 m 37.02 54.54 1.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER 67.93 163.76 0.13 Allowed Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.345 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.7 Cg_endo -71.98 -152.08 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.359 2.039 . . . . 0.0 112.245 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.423 ' HD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.84 165.63 13.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.538 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.57 163.64 38.06 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.128 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.9 Cg_exo -56.73 -18.71 27.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.048 2.498 . . . . 0.0 112.981 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.49 -43.52 72.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.28 -34.58 72.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.836 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.5 OUTLIER -58.29 -44.05 88.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.04 -37.28 64.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.761 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.63 -38.54 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.085 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD22 ' HZ3' ' A' ' 75' ' ' TRP . 1.3 tt -60.73 -44.55 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.64 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' HB2' ' HH2' ' A' ' 94' ' ' TRP . 36.2 t70 -58.99 -35.92 74.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.203 0.525 . . . . 0.0 110.541 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.15 -49.98 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.48 -25.18 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -75.44 -23.62 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.732 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.71 -5.8 53.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -110.3 -46.58 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.325 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -92.2 -36.25 13.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.272 0.558 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.8 -160.61 15.36 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.7 35.2 0.56 Allowed 'Trans proline' 0 CA--C 1.527 0.129 0 C-N-CA 122.821 2.347 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -83.26 63.64 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.629 ' HZ3' HD22 ' A' ' 64' ' ' LEU . 43.1 m95 -47.94 -35.42 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -61.12 -29.92 70.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.274 0.559 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -87.72 -36.39 17.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.302 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.57 -39.53 84.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 p -64.59 -16.21 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.139 0.495 . . . . 0.0 111.618 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 37.1 mttp -80.32 -21.33 42.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.112 0.482 . . . . 0.0 110.485 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.72 -16.89 23.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.354 0.597 . . . . 0.0 109.564 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.486 HD22 ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -117.56 90.74 3.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.456 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 68.6 tttt -71.85 75.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.464 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 7.1 t-20 177.17 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 3.7 mmt180 -95.25 141.47 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 90' ' ' ILE . 5.2 p -105.63 176.94 5.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -72.38 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.83 -24.08 34.34 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -79.65 -50.02 11.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 86' ' ' SER . 81.5 mt -62.79 -42.36 95.99 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -60.08 -48.24 82.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.44 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.91 -46.65 88.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -64.91 -47.84 76.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.506 ' HH2' ' HB2' ' A' ' 65' ' ' ASP . 73.9 t-105 -60.79 -41.98 96.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.193 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 10.9 ttt -67.8 -34.93 77.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -78.08 -49.25 14.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.858 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 97' ' ' ILE . 7.9 tp -63.91 -29.2 46.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.79 70.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -73.83 -23.26 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.776 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -90.29 -31.17 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -69.54 -39.63 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.198 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.43 4.98 13.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 51.77 -150.76 0.29 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -162.1 101.98 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.718 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -58.21 149.24 24.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -154.76 -52.77 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.985 0.422 . . . . 0.0 109.956 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 179.797 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.32 10.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 mttt 60.38 -176.35 0.11 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.508 0.505 . . . . 0.0 110.876 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.534 ' O ' ' HB ' ' A' ' 5' ' ' THR . 6.3 t80 62.87 168.3 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.691 HG21 ' HG2' ' A' ' 8' ' ' GLU . 9.5 t 169.01 170.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.195 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.48 -39.04 78.88 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.348 0.405 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.2 mt-10 -59.34 -22.46 61.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.626 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.691 ' HG2' HG21 ' A' ' 5' ' ' THR . 14.4 mm-40 -87.51 -33.77 18.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.14 -45.38 83.61 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.467 0.651 . . . . 0.0 109.452 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.92 -42.09 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.739 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 46.7 mttp -63.3 -41.35 98.96 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.65 -52.56 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.522 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -52.77 -38.61 61.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.484 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.45 -46.48 26.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD23 HG12 ' A' ' 27' ' ' ILE . 7.7 mp -64.27 -48.56 75.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.53 -33.44 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 110.669 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 ttt -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -87.52 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.645 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 23.9 m-85 -89.97 -44.92 9.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.17 -165.07 15.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.027 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.36 25.83 9.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.779 0.323 . . . . 0.0 111.838 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -141.3 -31.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.645 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 37.1 t0 -80.38 49.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.482 . . . . 0.0 111.923 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -69.88 -19.84 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.277 0.56 . . . . 0.0 109.985 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 pt -67.0 -31.02 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.155 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -64.92 -31.52 72.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG12 HD23 ' A' ' 15' ' ' LEU . 54.8 mt -76.72 -27.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.411 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' MET . 3.3 m -66.76 -14.01 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.615 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.31 -36.43 81.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.355 0.598 . . . . 0.0 109.646 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 mt -93.08 -50.98 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' ' 28' ' ' SER . 50.1 mtt -98.08 93.26 6.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -104.25 -9.97 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.0 110.641 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.51 18.93 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 34.5 ttm180 -145.67 147.83 32.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 1.058 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 97.9 m-20 -63.06 136.39 96.66 Favored Pre-proline 0 C--O 1.236 0.365 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.37 -38.44 82.5 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.516 2.144 . . . . 0.0 111.578 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -70.25 -22.35 62.9 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 1.058 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 8.2 mm100 -69.92 -34.24 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.011 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 22.8 m -67.23 -34.24 77.05 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 54.7 ttt180 -70.5 -37.84 74.22 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.552 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.5 tt0 -65.17 -28.06 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.735 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.711 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 1.7 mmp_? -72.5 -58.84 3.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 6.1 t-105 -56.1 -50.16 71.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 m-20 -63.33 -26.22 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 24.2 m-80 -114.29 15.07 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -140.4 -52.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.23 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.556 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -102.59 -17.08 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -177.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.705 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.5 t-20 -77.48 -57.46 1.05 Allowed Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 48.8 Cg_endo -97.27 -171.68 0.16 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.466 2.111 . . . . 0.0 112.192 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.83 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.91 73.11 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.94 179.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 52' ' ' ARG . 35.2 mtp180 -140.01 -154.12 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.94 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 33.03 52.67 0.34 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -179.238 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' THR . 15.7 m-20 72.84 153.4 0.15 Allowed Pre-proline 0 N--CA 1.474 0.773 0 O-C-N 123.438 0.461 . . . . 0.0 111.696 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HB2' ' H ' ' A' ' 56' ' ' TRP . 67.7 Cg_endo -74.77 -144.45 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.538 2.159 . . . . 0.0 112.369 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.49 ' H ' ' HB2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -92.09 158.32 16.27 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.278 -0.264 . . . . 0.0 110.623 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.88 169.28 12.03 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.6 Cg_exo -57.55 -16.6 24.59 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.974 2.449 . . . . 0.0 113.099 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.42 -44.2 68.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -74.15 -33.67 63.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.84 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.918 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -71.67 -35.99 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.24 -42.87 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.019 0.438 . . . . 0.0 110.372 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD22 ' HZ3' ' A' ' 75' ' ' TRP . 6.8 tt -61.71 -39.9 93.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.69 -39.84 68.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.06 -50.82 29.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.32 -22.51 66.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.689 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -73.41 -24.7 60.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.22 0.533 . . . . 0.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.62 2.23 44.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.172 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -112.23 -53.97 2.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.692 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -93.78 -32.77 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.221 0.534 . . . . 0.0 109.671 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.36 -162.09 16.96 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.21 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.46 37.88 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.762 2.308 . . . . 0.0 111.807 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -89.32 62.29 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.171 0.51 . . . . 0.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.638 ' HZ3' HD22 ' A' ' 64' ' ' LEU . 24.6 m95 -48.9 -28.25 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.803 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.33 -40.5 68.06 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.132 0.491 . . . . 0.0 109.75 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -83.41 -36.57 24.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.799 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.72 -43.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -66.41 -22.08 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.268 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -81.41 -29.78 33.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.45 -58.02 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.7 92.3 6.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.48 92.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.069 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.72 -72.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -103.58 167.88 9.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.058 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 p -107.02 -178.84 3.76 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.374 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -46.36 -84.13 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -29.04 28.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.58 -46.86 65.38 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.178 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.86 -42.74 86.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 tpt180 -56.9 -48.61 77.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.56 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.56 -47.06 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.254 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 2.0 tpp180 -64.51 -39.9 94.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.721 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -61.2 -47.4 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 0.0 110.47 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 ttt -65.58 -31.7 72.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.491 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 ttt -74.26 -50.09 20.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.049 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 tp -69.86 -30.69 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.09 91.23 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.805 0.336 . . . . 0.0 110.426 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -65.25 -26.37 68.07 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.362 0.601 . . . . 0.0 110.48 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -85.71 -32.78 21.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.763 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -72.73 -36.72 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.61 1.33 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.29 -143.36 0.73 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.809 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -164.49 125.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -80.95 147.26 30.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -164.64 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.099 0.476 . . . . 0.0 110.458 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.6 tttp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.636 0.255 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -67.7 -12.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 71.98 139.12 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.538 0.524 . . . . 0.0 111.436 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 63.62 -170.61 0.18 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.357 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.794 HG21 ' HG2' ' A' ' 8' ' ' GLU . 4.6 t 176.37 176.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.402 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 30.5 mt-10 -60.34 -42.26 95.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.36 0.413 . . . . 0.0 111.903 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.7 -41.01 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.794 ' HG2' HG21 ' A' ' 5' ' ' THR . 18.1 mm-40 -68.88 -33.28 73.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.231 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.8 -39.39 94.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.254 0.55 . . . . 0.0 109.876 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 58.0 mt -63.83 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.09 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.18 -29.59 64.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.618 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.433 HD21 ' HG2' ' A' ' 42' ' ' ARG . 23.3 tp -56.72 -49.23 75.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.623 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -58.97 -32.01 69.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 0.0 110.513 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 84.2 mm-40 -74.8 -43.78 52.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.275 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD22 HD13 ' A' ' 30' ' ' LEU . 5.9 mp -66.35 -43.81 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.747 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.58 -39.61 76.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.857 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -56.91 -28.71 62.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.883 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 14' ' ' GLN . 5.3 mtp180 -101.69 -25.9 13.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.25 -32.79 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.34 -136.97 13.2 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.943 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.57 21.55 3.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -130.78 -43.3 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.828 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.08 64.77 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.428 ' HE3' HD11 ' A' ' 27' ' ' ILE . 73.4 m95 -81.68 -8.25 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.133 0.492 . . . . 0.0 109.895 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.5 mt -73.81 -29.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.966 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -26.5 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.841 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG12 HD23 ' A' ' 15' ' ' LEU . 63.1 mt -77.43 -36.94 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 31' ' ' MET . 7.3 m -59.2 -18.15 34.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.188 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.33 -30.47 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.236 0.541 . . . . 0.0 109.846 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 HD13 HD22 ' A' ' 15' ' ' LEU . 65.1 mt -89.37 -48.4 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' SER . 3.3 ttm -112.75 101.51 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 tt -104.63 -4.8 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 0.0 111.278 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.49 13.79 14.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.84 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 34' ' ' ARG . 12.6 ptm85 -138.72 153.39 48.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.347 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.985 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 38.7 t-20 -64.76 123.97 84.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.832 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.72 -44.53 40.27 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.419 2.746 . . . . 0.0 113.04 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -65.43 -25.16 67.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.697 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.985 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 8.9 mm100 -69.1 -20.01 64.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.496 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.09 -33.26 65.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -72.09 -45.39 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.32 -24.63 66.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.09 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HG2' HD21 ' A' ' 12' ' ' LEU . 2.3 tpm_? -71.27 -62.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.836 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.89 -38.65 89.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.055 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 54.3 t30 -66.57 -22.41 66.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -113.95 11.78 17.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -142.93 -42.29 0.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' HB ' ' HE3' ' A' ' 43' ' ' TRP . 2.1 mt -101.18 -15.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.096 0.474 . . . . 0.0 111.72 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.724 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 62.1 t30 -87.77 -59.3 0.26 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 62.6 Cg_endo -92.6 178.67 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.356 2.038 . . . . 0.0 111.474 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.14 93.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -96.55 76.12 2.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.275 0.559 . . . . 0.0 111.188 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -127.67 -36.39 2.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 47.65 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.792 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 41.7 m-20 60.04 174.86 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.888 0.475 . . . . 0.0 111.777 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 70.6 Cg_endo -75.21 177.21 8.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.915 1.744 . . . . 0.0 110.601 177.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.461 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.56 151.54 16.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 178.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.41 166.87 37.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.306 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -54.85 -22.87 31.53 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.86 2.373 . . . . 0.0 112.705 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.58 -41.29 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.864 ' HG2' HD11 ' A' ' 82' ' ' LEU . 2.1 mp0 -74.05 -32.99 63.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.689 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.1 -43.97 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.267 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 69.6 mtm -69.2 -39.08 78.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.9 -42.34 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.6 HD22 ' HZ3' ' A' ' 75' ' ' TRP . 1.9 tt -61.2 -40.03 92.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.954 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.25 -39.76 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.93 -43.17 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.05 -23.76 62.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.759 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -75.08 -31.59 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.531 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -40.65 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -89.79 -122.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -10.98 -60.44 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.73 -157.4 15.1 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.61 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.25 37.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.205 2.604 . . . . 0.0 112.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -82.21 62.62 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.6 ' HZ3' HD22 ' A' ' 64' ' ' LEU . 6.5 m95 -45.42 -38.45 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.43 -17.09 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.375 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -100.72 -41.33 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.51 -24.88 33.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -66.39 -10.9 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.577 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 4.7 mptt -77.66 -28.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -86.29 -22.86 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.071 0.463 . . . . 0.0 110.022 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.864 HD11 ' HG2' ' A' ' 60' ' ' GLU . 1.4 mm? -110.55 83.14 1.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.724 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -64.79 86.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 154.94 -37.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.723 1.264 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -83.04 125.56 31.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.583 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' HG13 ' A' ' 90' ' ' ILE . 10.7 p -103.13 173.3 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -70.54 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.65 -25.43 64.69 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 25.3 t-20 -70.0 -51.29 33.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.546 0.212 . . . . 0.0 110.796 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 86' ' ' SER . 52.1 mt -68.79 -37.48 77.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.71 -52.53 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.447 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.45 -38.81 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -64.51 -40.28 95.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -59.35 -45.26 91.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.683 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 45.0 ttm -67.53 -39.74 85.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -49.79 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.825 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 97' ' ' ILE . 5.5 tp -66.07 -33.32 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.843 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.47 87.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.33 -28.5 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.113 0.483 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -88.92 -20.51 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.264 0.554 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.1 tpm_? -86.41 -33.63 20.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.369 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -1.72 13.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.181 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 59.92 -163.32 0.24 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.969 0.414 . . . . 0.0 111.499 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -155.38 104.94 2.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.784 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -74.65 154.07 38.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.507 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -163.4 -54.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.165 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.388 179.419 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.62 0.247 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.0 -4.56 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt 65.73 172.45 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.619 0.574 . . . . 0.0 112.259 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.539 ' O ' ' HB ' ' A' ' 5' ' ' THR . 1.7 t80 63.19 178.47 0.15 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.771 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.895 HG21 ' HG2' ' A' ' 8' ' ' GLU . 4.2 t 167.73 171.77 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.33 -44.14 97.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.22 -40.93 71.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.201 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.895 ' HG2' HG21 ' A' ' 5' ' ' THR . 17.9 mm-40 -70.2 -31.1 68.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.549 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 42' ' ' ARG . 13.4 t70 -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.306 0.574 . . . . 0.0 110.367 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.2 -41.69 98.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.301 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -66.95 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.314 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.0 tp -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -55.98 -42.47 76.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.939 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -68.25 -45.38 73.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.666 ' HG ' ' HE2' ' A' ' 19' ' ' TYR . 8.4 mp -65.23 -42.23 93.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.04 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.8 -32.36 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.323 0.582 . . . . 0.0 110.168 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.1 ttt -69.64 -36.38 76.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.453 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -83.42 -48.65 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.666 ' HE2' ' HG ' ' A' ' 15' ' ' LEU . 93.3 m-85 -84.62 -35.14 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.85 -161.88 12.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.856 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.01 24.5 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.974 0.416 . . . . 0.0 111.244 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -136.49 -34.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.645 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -84.35 53.04 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.171 0.51 . . . . 0.0 111.993 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -69.43 -23.25 63.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.722 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.1 pt -65.9 -35.17 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -23.93 65.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.279 0.561 . . . . 0.0 109.966 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG22 HD23 ' A' ' 15' ' ' LEU . 82.3 mt -82.11 -28.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -68.75 -6.87 29.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.18 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -73.23 -26.92 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.35 -36.09 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.0 mtt -101.62 83.83 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -94.73 -15.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.919 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.99 24.54 5.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.438 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 35.3 ttm105 -143.98 142.74 30.88 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.217 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.75 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -62.73 132.63 94.73 Favored Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.41 -36.76 70.64 Favored 'Trans proline' 0 N--CA 1.473 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 111.509 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -75.4 -18.57 59.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.05 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.75 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.88 -38.17 76.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 43.2 m -64.1 -36.69 84.85 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -67.73 -42.59 81.66 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.648 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.01 -29.78 70.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 9' ' ' ASP . 5.7 mmm180 -71.22 -57.62 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.312 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -58.7 -49.08 78.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -62.43 -20.84 64.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.371 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.5 23.73 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.642 ' HA ' HD22 ' A' ' 51' ' ' LEU . 19.3 t80 -156.47 -45.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -26.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 6.1 t30 -76.42 -57.44 1.33 Allowed Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 64.4 Cg_endo -94.6 -173.4 0.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.154 1.903 . . . . 0.0 111.949 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.14 58.53 0.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.695 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -67.3 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.757 . . . . 0.0 112.361 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' H ' ' A' ' 53' ' ' THR . 43.6 mtp180 -147.07 -145.88 0.18 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.934 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 41.65 48.4 3.58 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.766 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 6.8 m-20 64.35 171.83 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.653 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.766 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.6 Cg_endo -72.18 -159.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.032 1.822 . . . . 0.0 112.08 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.479 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -83.73 166.25 18.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.18 164.5 21.23 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.1 Cg_exo -57.12 -17.62 25.93 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.57 -41.68 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -74.52 -39.2 62.53 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.4 t70 -54.99 -42.05 72.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.2 mtt -77.78 -42.04 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.163 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.5 -44.53 64.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.59 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -58.96 -39.91 83.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.746 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.63 -35.74 61.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 3.4 tt0 -77.79 -50.73 11.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.43 -27.02 68.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -76.47 -24.54 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.575 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.29 -5.43 58.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 54.6 mm-40 -105.0 -53.85 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -88.24 -29.4 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.638 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 74' ' ' LYS . . . 103.69 -158.37 17.15 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.96 32.89 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.965 2.444 . . . . 0.0 111.733 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 72' ' ' GLY . 64.2 mttp -82.67 61.12 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.432 ' HZ3' ' CD2' ' A' ' 64' ' ' LEU . 36.9 m95 -52.06 -31.07 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.537 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -78.81 -34.03 45.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.748 HG21 HD22 ' A' ' 64' ' ' LEU . 41.8 mm -71.14 -38.41 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.107 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -61.11 -14.97 28.12 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -74.61 -17.85 60.65 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -100.36 -13.47 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.158 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -121.27 83.1 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 69.2 tttt -67.51 83.71 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.933 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 23.0 t-20 166.64 -39.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.954 0.784 . . . . 0.0 111.136 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 56' ' ' TRP . 22.2 mmt180 -97.77 135.52 39.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.374 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 p -105.57 174.74 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -55.24 -26.41 39.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.51 -52.26 16.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.39 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.17 -44.15 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -57.24 -49.11 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -48.57 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 12.5 tpp180 -68.79 -38.47 80.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.418 ' HA ' HG23 ' A' ' 97' ' ' ILE . 68.3 t-105 -62.33 -45.28 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.987 0.423 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.3 ttt -65.35 -23.56 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.722 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -49.06 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.381 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.427 HG21 ' HZ3' ' A' ' 56' ' ' TRP . 10.0 tp -65.41 -33.19 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.51 -33.37 72.52 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.009 0.433 . . . . 0.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -67.47 -23.98 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.645 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -89.01 -40.47 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.972 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -68.58 -34.15 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.737 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.25 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.451 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 49.66 -147.38 0.33 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.32 110.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.75 160.18 33.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -152.34 -64.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.434 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.17 179.706 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.816 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.816 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.566 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.424 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.566 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.503 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.503 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.56 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.446 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.686 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.452 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.603 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.424 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.588 0.232 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.85 0.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.587 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 41.6 mttt 63.43 175.32 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 1.027 ' HE2' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER 60.39 176.79 0.09 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.006 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 5.6 t 170.27 171.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 37.5 mt-10 -62.5 -43.52 98.62 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.682 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -33.15 61.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.412 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.535 ' CG ' HH21 ' A' ' 42' ' ' ARG . 23.8 t70 -64.21 -39.19 93.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 86.8 mt -64.93 -35.26 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.007 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.82 -31.93 71.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.203 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.9 tp -55.74 -48.76 74.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -54.94 -38.81 68.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.076 0.465 . . . . 0.0 111.191 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.3 -43.02 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.632 HD23 HG22 ' A' ' 27' ' ' ILE . 6.4 mp -64.19 -44.46 91.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.573 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 12' ' ' LEU . 97.9 t -62.43 -39.57 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.141 0.496 . . . . 0.0 110.21 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -65.31 -38.03 88.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.535 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -84.79 -45.01 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CE2' ' HG ' ' A' ' 15' ' ' LEU . 20.9 m-85 -85.13 -34.75 22.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 -164.58 12.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.83 24.08 12.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.413 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 -32.87 0.4 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.768 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -79.43 50.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 0.0 110.564 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -69.04 -15.55 63.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.443 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.35 -28.04 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -40.31 94.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.594 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG22 HD23 ' A' ' 15' ' ' LEU . 75.4 mt -74.08 -30.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.484 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.6 m -68.12 -9.37 45.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.298 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.12 -23.11 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.409 0.623 . . . . 0.0 109.411 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 mt -95.93 -32.03 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.1 mtt -128.54 103.61 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -105.81 -13.89 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 111.634 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.95 15.55 1.78 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.119 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.591 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 25.9 ttm105 -141.81 148.24 38.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.891 0.377 . . . . 0.0 111.883 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 2.6 t-20 -63.18 122.26 74.33 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.55 -38.91 28.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.154 2.569 . . . . 0.0 113.252 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.612 ' HD3' " C2'" ' C' ' 21' ' ' ' DT' . 0.2 OUTLIER -67.1 -24.14 65.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.015 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -74.32 -28.41 61.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.706 0.289 . . . . 0.0 111.274 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.552 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 21.5 m -65.41 -34.88 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -33.92 60.62 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.133 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -58.75 -40.62 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.649 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 1.027 ' HG3' ' HE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.02 -47.86 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.82 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.484 ' HE3' HD11 ' A' ' 47' ' ' ILE . 2.0 t-105 -56.46 -47.13 79.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.227 0.537 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -68.94 -26.17 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.111 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.51 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 37.6 m-80 -107.24 10.4 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -141.78 -50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.484 HD11 ' HE3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -98.98 -16.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 112.159 -177.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.665 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 50.6 t30 -79.97 -53.72 0.94 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.085 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 35.1 Cg_endo -100.77 -165.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.671 2.248 . . . . 0.0 112.762 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.79 60.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.238 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -75.07 79.89 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.133 0.492 . . . . 0.0 111.785 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -145.58 -156.17 0.68 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.044 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m 37.34 57.4 1.33 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.024 0.828 . . . . 0.0 112.608 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 71.12 162.79 0.15 Allowed Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.081 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -72.13 -148.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.515 2.144 . . . . 0.0 111.74 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HH2' ' HA ' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -83.63 163.05 20.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.146 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.14 163.03 41.73 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.233 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -54.42 -23.89 33.09 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.918 2.412 . . . . 0.0 112.255 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.63 -38.8 87.69 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.46 -36.54 52.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.59 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.5 -46.15 80.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mtt -80.81 -15.6 55.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.943 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -85.05 -42.31 14.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.23 -20.76 64.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.314 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.21 -44.31 95.25 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -84.74 -38.5 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.566 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -80.53 57.94 3.04 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 90.5 t80 -171.72 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.008 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -2.3 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.913 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -107.67 -32.24 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.3 m-85 -125.69 48.19 2.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.205 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 34.58 -138.65 0.19 Allowed Glycine 0 CA--C 1.523 0.576 0 O-C-N 124.226 0.954 . . . . 0.0 114.415 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 96.0 Cg_endo -93.02 36.46 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 12.7 mptt -78.52 55.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.23 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -50.91 -31.28 17.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.411 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 18.8 t-20 -56.29 -38.2 70.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.333 0.587 . . . . 0.0 110.262 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 54.0 mmtt -84.2 -31.48 25.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.775 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 74' ' ' LYS . 26.7 mm -68.89 -36.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.633 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -64.33 -16.19 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 42.7 mttp -81.14 -24.62 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.99 -21.36 26.21 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.01 77.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.14 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.35 87.44 0.01 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.009 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 177.33 -37.35 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -116.3 156.54 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.51 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 1.8 m -113.34 178.04 4.42 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -78.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -11.26 2.26 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.431 ' HB2' HD21 ' A' ' 51' ' ' LEU . 16.3 t-20 -90.04 -46.31 8.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.794 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 86' ' ' SER . 77.8 mt -69.77 -45.93 75.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.425 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -56.73 -47.14 80.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -60.66 -48.22 82.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.264 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.482 HH12 " H3'" ' B' ' 5' ' ' ' DT' . 1.4 mpp_? -68.28 -32.36 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.443 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 73.4 t-105 -64.07 -47.09 81.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.32 -33.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.33 -51.19 55.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.952 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.9 tp -66.96 -31.0 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.511 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.41 71.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.743 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -65.23 -27.47 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.467 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -94.66 -35.98 11.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.478 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -66.18 -38.87 89.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.299 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 0.87 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 31.8 mmtp 63.64 -168.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 5.9 p80 -146.57 100.62 3.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.402 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.08 145.9 49.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -158.2 -60.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.738 179.781 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.635 0 C2'-C3'-O3' 113.255 0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.485 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C2'-C3'-O3' 113.391 1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.485 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.158 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.173 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.098 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.599 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.343 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.599 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 104.971 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.587 H5'' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.511 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.591 ' OP2' ' HA ' ' A' ' 34' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 104.625 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.467 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.467 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 104.261 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.569 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.37 1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.569 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.839 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.533 " H1'" " H5'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.533 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C2'-C3'-O3' 113.772 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.499 " H5'" " H1'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.205 1.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.485 ' H6 ' " O5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.438 0.57 0 O4'-C1'-C2' 107.053 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.493 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 114.014 1.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.493 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.356 1.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.612 " C2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.442 0.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.495 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.649 1.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.521 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.418 1.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.609 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.609 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C2'-C3'-O3' 114.333 1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.494 H2'' ' OP2' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 104.58 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 113.574 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.531 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 104.135 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.531 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-N19 108.581 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.472 " H1'" " H5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.281 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.472 " H5'" " H1'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.23 1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.406 " H5'" " H1'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.628 0.252 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.2 m -78.02 -5.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.234 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt 60.53 -176.04 0.11 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.548 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.672 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 1.6 t80 61.88 175.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.072 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.793 HG21 ' HG2' ' A' ' 8' ' ' GLU . 14.9 t 171.17 178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.324 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -58.51 -38.64 78.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.466 0.479 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.86 -41.1 97.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.793 ' HG2' HG21 ' A' ' 5' ' ' THR . 7.1 mm-40 -66.41 -36.43 82.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.69 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.69 -45.08 95.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.31 -39.5 93.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.262 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.38 -38.1 86.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 30.2 tp -58.82 -51.72 68.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -54.54 -33.87 60.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -81.79 -42.01 20.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.714 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 30' ' ' LEU . 5.3 mp -66.3 -42.1 88.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.553 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -33.56 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 109.63 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.7 ttt -68.48 -36.31 78.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.367 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -80.28 -47.2 14.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -89.5 -31.21 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.08 -177.79 18.83 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.49 30.4 2.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.79 -37.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.677 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 26' ' ' ARG . 7.0 t0 -82.19 59.17 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.426 ' HZ3' HD11 ' A' ' 12' ' ' LEU . 93.7 m95 -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 110.472 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 pt -68.9 -32.38 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.552 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 1.1 tpp180 -68.12 -26.88 66.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.52 -20.09 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.508 0.671 . . . . 0.0 109.292 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' MET . 5.0 m -71.58 -11.8 61.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.133 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -73.06 -24.27 60.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.214 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 15' ' ' LEU . 83.3 mt -102.61 -37.85 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' SER . 55.8 mtm -116.1 90.66 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.498 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tp -99.34 -20.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.86 13.91 9.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.094 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.672 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 15.6 ttm105 -133.58 139.85 46.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.46 113.6 9.37 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.92 -37.03 96.51 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.343 2.695 . . . . 0.0 112.132 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.521 HH21 ' H71' ' C' ' 21' ' ' ' DT' . 15.2 ttm105 -66.87 -28.15 68.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.658 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.669 ' HG3' ' N7 ' ' B' ' 9' ' ' ' DG' . 3.5 mm100 -81.01 -16.79 52.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -69.88 -30.6 68.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -70.31 -35.03 73.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.2 tt0 -69.17 -12.82 62.01 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.642 ' HD2' ' OP2' ' B' ' 8' ' ' ' DC' . 0.0 OUTLIER -96.13 -54.02 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -42.7 76.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.969 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 48' ' ' ASN . 21.8 t30 -81.52 -5.8 58.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.619 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.557 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 19.3 m-20 -122.45 8.35 9.6 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -135.13 -53.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.09 -14.54 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 10.6 t30 -81.89 -56.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 55.7 Cg_endo -93.23 -171.53 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.139 1.893 . . . . 0.0 112.023 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.51 66.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.548 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -76.31 73.69 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.236 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HB3' ' H ' ' A' ' 53' ' ' THR . 74.6 mtp180 -137.4 -157.93 0.82 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.045 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.409 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 2.4 p 38.08 57.05 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 164.62 0.12 Allowed Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.77 -158.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.508 ' CZ2' ' HB3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.889 0.376 . . . . 0.0 110.981 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.29 160.44 42.57 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.123 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -54.14 -28.48 51.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.204 2.602 . . . . 0.0 112.816 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.17 -39.95 82.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.314 0.578 . . . . 0.0 109.532 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.38 -34.67 61.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.459 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -42.42 99.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.721 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.0 mtt -71.41 -39.05 71.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.7 -37.83 76.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.137 0.494 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD11 ' HZ3' ' A' ' 75' ' ' TRP . 35.1 tp -61.31 -42.12 98.14 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.503 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.92 -40.5 69.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.784 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -70.6 -50.35 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.799 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -65.78 -24.94 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 111.826 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -76.6 -29.54 56.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.797 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.13 -24.72 37.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.203 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -92.8 -43.18 9.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -92.42 -33.96 14.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.718 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.95 -164.52 18.49 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.1 34.29 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.983 2.455 . . . . 0.0 112.31 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.45 62.58 7.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 0.0 110.485 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.48 ' HZ3' HD11 ' A' ' 64' ' ' LEU . 62.2 m95 -49.57 -30.82 9.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.686 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 7.6 t-20 -58.18 -36.9 73.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.168 0.508 . . . . 0.0 109.81 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 5.7 mptp? -82.05 -36.71 27.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.975 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.23 -45.01 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.552 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -62.02 -18.14 59.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.084 0.469 . . . . 0.0 111.926 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 45.2 mttp -78.68 -22.97 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -86.45 -20.23 28.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.15 96.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.0 tttt -68.78 80.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.251 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.3 t-20 167.52 -50.68 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.908 0.755 . . . . 0.0 111.923 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HD1' ' A' ' 56' ' ' TRP . 18.1 mmt180 -84.67 139.21 32.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.074 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 90' ' ' ILE . 4.4 p -109.65 176.66 4.99 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.231 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -71.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 2.8 t30 -54.87 -24.53 23.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -77.37 -51.69 10.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.508 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 86' ' ' SER . 62.7 mt -67.3 -44.82 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 O-C-N 123.02 0.2 . . . . 0.0 111.419 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.0 -39.27 81.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.742 0.306 . . . . 0.0 111.102 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -70.41 -45.49 65.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.074 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.508 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -64.09 -42.34 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.025 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.84 -45.43 90.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.495 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.69 -37.03 85.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.71 -50.27 31.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 tp -67.83 -32.68 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.08 75.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.911 0.386 . . . . 0.0 110.386 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -68.26 -28.29 67.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.32 -35.53 23.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.484 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 3.8 tpm_? -74.84 -28.75 60.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.54 0.42 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.261 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 27.7 mmtp 55.72 -157.78 0.23 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.427 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 3.2 p80 -161.5 102.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.084 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.8 147.97 52.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -150.45 -57.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.449 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.796 0 C2'-C3'-O3' 113.51 1.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.464 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.751 0 O4'-C1'-C2' 107.218 1.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.494 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.204 1.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.494 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.154 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.455 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.234 1.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.5 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 104.621 1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.5 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 C3'-C2'-C1' 104.913 1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.642 ' OP2' ' HD2' ' A' ' 42' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 105.033 1.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.669 ' N7 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.908 1.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.519 ' N6 ' HH12 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.487 1.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.473 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 104.169 1.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.541 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.482 1.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.541 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-N19 108.993 1.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.555 " H1'" " H5'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.336 1.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.555 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 C2'-C3'-O3' 113.589 1.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.496 " H5'" " H1'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.22 1.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.45 ' H6 ' " O5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.439 0.644 0 C2'-C3'-O3' 113.223 0.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.47 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.778 0 C2'-C3'-O3' 113.613 1.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.47 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.19 -1.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.518 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.638 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.521 ' H71' HH21 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.611 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.517 1.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.686 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 104.439 1.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.53 " H5'" " H1'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C3'-C2'-C1' 104.846 1.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.544 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 104.948 1.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.544 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 104.057 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.423 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C2'-C3'-O3' 113.44 1.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.503 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.503 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.794 1.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.501 " H1'" " H5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 107.436 1.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.501 " H5'" " H1'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.162 0.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.499 ' H72' ' C6 ' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.051 0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.28 7.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.539 0.209 . . . . 0.0 111.493 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.619 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 62.2 mttt 64.93 173.98 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.42 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.824 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 65.43 173.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.957 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.824 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 8.9 t 176.89 165.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.02 -34.86 75.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -59.38 -44.28 92.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.235 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -29.13 67.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.572 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.25 -45.42 94.6 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 109.178 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.67 -41.71 92.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -64.47 -40.43 95.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.439 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.95 -48.99 72.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.09 -45.19 50.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.066 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG22 ' A' ' 27' ' ' ILE . 8.3 mp -64.57 -46.33 83.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.534 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.96 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-O 121.322 0.582 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.45 -35.63 73.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.138 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -77.35 -50.47 12.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.479 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -84.57 -42.97 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.02 -175.85 16.16 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.76 35.43 2.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -134.76 -50.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.73 84.68 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 0.0 112.3 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CZ2' ' HB2' ' A' ' 40' ' ' ARG . 25.8 m95 -83.85 -9.96 58.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.103 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.94 -43.39 97.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.318 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -65.34 -26.25 67.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.406 HG22 HD23 ' A' ' 15' ' ' LEU . 61.2 mt -82.84 -33.6 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -65.55 -13.72 59.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.814 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.65 -33.5 76.08 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.37 -44.43 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -92.81 87.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.906 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -94.89 -26.29 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.498 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.4 16.83 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.601 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -132.64 134.66 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.125 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 38' ' ' GLN . 1.3 t-20 -57.01 126.05 71.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.83 -42.59 56.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.741 2.294 . . . . 0.0 112.11 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.534 ' HD3' ' C6 ' ' C' ' 21' ' ' ' DT' . 36.3 mtm105 -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 2.1 mp0 -74.06 -25.78 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 m -65.27 -29.66 70.46 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -78.95 -34.34 44.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.562 178.401 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.48 -43.41 93.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.391 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -44.25 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.5 -51.63 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -66.41 -20.57 66.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -107.81 -10.83 15.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -129.18 -41.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mt -93.13 -27.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.847 0.356 . . . . 0.0 111.561 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.571 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.2 t30 -79.54 -55.57 0.86 Allowed Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 47.5 Cg_endo -98.01 -179.72 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.482 2.121 . . . . 0.0 111.509 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.88 72.72 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.57 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 51' ' ' LEU . 2.5 pt? -67.17 91.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.432 0.634 . . . . 0.0 112.254 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -160.28 -149.92 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p 37.92 47.39 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.644 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 3.6 m-20 66.97 168.48 0.11 Allowed Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.644 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 60.0 Cg_endo -74.11 -149.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.024 1.816 . . . . 0.0 111.335 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.03 167.3 12.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.589 0.233 . . . . 0.0 110.416 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -90.22 166.22 20.83 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.52 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 49.7 Cg_exo -58.54 -16.41 29.71 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.652 2.235 . . . . 0.0 112.41 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.95 -43.17 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 15.3 mp0 -73.16 -35.81 66.52 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.002 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 7.2 t70 -60.5 -43.45 97.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.082 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.8 mtt -76.88 -32.21 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.058 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.15 -33.33 38.55 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 78' ' ' ILE . 1.5 mt -61.06 -41.87 97.42 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.85 -37.32 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.439 0.462 . . . . 0.0 111.223 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -70.92 -53.37 15.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -64.46 -30.73 71.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.126 0.489 . . . . 0.0 111.474 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -72.94 -29.6 63.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.61 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.08 -9.68 52.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.392 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -101.04 -50.97 3.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -87.56 -34.19 18.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.87 -171.66 18.24 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.18 63.03 6.92 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.562 2.174 . . . . 0.0 111.298 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -118.17 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.493 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 24.5 m95 -48.74 -26.0 2.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.633 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -54.15 -40.63 67.6 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.254 0.55 . . . . 0.0 109.853 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.69 -35.88 19.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.897 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.563 HG21 HD22 ' A' ' 64' ' ' LEU . 47.4 mm -60.75 -43.1 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -63.82 -15.63 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.14 0.495 . . . . 0.0 111.714 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.59 -31.3 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -84.71 -25.64 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.445 . . . . 0.0 109.805 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -111.85 88.55 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.6 tttt -69.37 82.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.985 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 6.8 t-20 -179.47 -40.88 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -110.61 151.76 27.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.148 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.502 ' O ' HG13 ' A' ' 90' ' ' ILE . 7.9 p -107.46 174.95 5.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.045 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.02 -87.25 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -23.45 28.78 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -67.86 -49.91 59.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 86' ' ' SER . 69.1 mt -67.95 -37.99 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -55.84 -52.81 62.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.859 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.47 -44.44 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.593 HH12 " H3'" ' B' ' 5' ' ' ' DT' . 1.2 mpp_? -64.15 -44.66 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.789 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -58.58 -44.15 89.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.064 0.459 . . . . 0.0 110.612 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.8 ttt -67.74 -40.66 84.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -67.09 -45.6 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.29 -41.71 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.506 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.3 72.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 99' ' ' ARG . 3.3 ttp85 -64.82 -29.8 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.976 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.09 -26.89 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.99 -32.1 45.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.54 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.4 -8.19 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.913 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp 59.92 -159.95 0.3 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 112.175 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -160.84 115.89 2.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.446 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.55 153.74 24.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -158.31 -74.99 0.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.483 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.541 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.624 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.443 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.267 1.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.526 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.095 0.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.526 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.135 -1.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.593 " H3'" HH12 ' A' ' 93' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C3'-C2'-C1' 104.001 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.522 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 C3'-C2'-C1' 104.31 1.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.522 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 104.656 1.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.619 H5'' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 104.697 1.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.506 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 104.53 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.445 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 104.549 1.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.445 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.161 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.563 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.33 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.563 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.975 1.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.478 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C2'-C3'-O3' 113.185 0.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.42 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.571 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.411 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.438 0.501 0 O4'-C1'-C2' 107.058 0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.467 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C2'-C3'-O3' 114.14 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.467 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.44 0.68 0 O4'-C1'-N19 108.576 0.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.458 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.753 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.534 ' C6 ' ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.121 0.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.511 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.773 0 O4'-C1'-C2' 107.561 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.511 " H5'" " H1'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.397 1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.67 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 C3'-C2'-C1' 104.326 1.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.67 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C2'-C3'-O3' 114.399 1.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.555 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.101 1.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.457 H2'' ' OP2' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C2'-C3'-O3' 113.395 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.477 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C3'-C2'-C1' 104.007 0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.522 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.728 1.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.522 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.25 1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.448 " H5'" " H1'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 107.229 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.407 " H5'" " H1'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.495 ' HE2' H5'' ' C' ' 28' ' ' ' DA' . 0.3 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.412 HG13 " H4'" ' C' ' 28' ' ' ' DA' . 35.6 m -76.36 -13.44 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.5 mttt 66.92 161.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.194 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.647 ' HB2' ' OP1' ' B' ' 8' ' ' ' DC' . 4.4 t80 65.85 175.12 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.959 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 10.6 t 172.83 178.67 0.09 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.948 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.36 -42.66 99.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.442 0.463 . . . . 0.0 111.519 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -53.48 -48.81 68.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.794 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -31.17 67.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.878 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.78 -48.59 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.227 0.537 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.91 -37.39 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.428 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.93 -35.81 82.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.586 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 16.4 tp -56.44 -48.93 75.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.54 -37.01 69.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.478 . . . . 0.0 110.805 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.679 HD23 HG22 ' A' ' 27' ' ' ILE . 6.1 mp -69.22 -42.97 75.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.469 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.24 -31.04 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 0.0 110.117 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.9 ttt -71.26 -34.39 70.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -84.49 -46.08 11.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -94.6 -18.63 21.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.48 -160.46 21.21 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.626 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.91 30.6 7.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.05 0.453 . . . . 0.0 110.503 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -131.55 -48.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.181 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.65 66.01 4.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.284 0.564 . . . . 0.0 111.5 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.451 ' NE1' ' HD3' ' A' ' 40' ' ' ARG . 90.5 m95 -77.9 -13.39 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.68 -38.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.251 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -25.53 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.451 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.679 HG22 HD23 ' A' ' 15' ' ' LEU . 80.1 mt -84.54 -22.76 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -79.3 1.02 26.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -74.93 -51.6 13.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.32 -30.23 60.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.46 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 mtt -108.73 92.36 4.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.645 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 tt -92.85 -33.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.103 0.478 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.36 20.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.89 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -134.03 131.21 38.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.93 126.92 82.52 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.27 -40.94 68.77 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.652 2.235 . . . . 0.0 111.895 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.711 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.9 OUTLIER -68.72 -24.85 64.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.994 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.1 -28.9 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.65 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 m -66.49 -37.82 85.93 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HD3' ' NE1' ' A' ' 24' ' ' TRP . 13.1 ttp180 -67.79 -38.55 83.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.691 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 3.6 tt0 -66.33 -23.25 66.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.125 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.86 -61.3 2.02 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.491 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 2.8 t-105 -57.32 -44.94 84.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 51.3 t30 -65.86 -28.14 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 22.9 m-80 -109.44 2.94 20.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -126.86 -52.41 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.415 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -100.74 -12.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.666 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 64.3 t30 -79.83 -56.97 0.72 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 63.3 Cg_endo -94.46 -175.4 0.4 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.04 59.88 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.697 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 pt? -64.18 70.85 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.737 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' H ' ' A' ' 53' ' ' THR . 54.1 mtp180 -147.56 -148.1 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.433 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 0.8 OUTLIER 38.92 55.39 2.04 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.714 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 60.8 m-20 65.04 169.78 0.1 Allowed Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.926 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.714 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 62.9 Cg_endo -74.49 -157.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.182 1.921 . . . . 0.0 111.637 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.43 163.09 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.552 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.46 166.2 31.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.604 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.43 -25.98 68.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.794 2.33 . . . . 0.0 111.075 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.05 -38.77 89.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -69.08 -39.15 79.21 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.437 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.73 -43.79 85.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.275 0.559 . . . . 0.0 110.575 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.0 mtt -72.89 -42.76 63.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.914 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.1 tp -70.9 -42.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 6.3 mt -59.3 -39.8 84.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.08 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.97 -37.77 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.085 0.469 . . . . 0.0 110.384 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 35.5 tt0 -74.85 -50.13 18.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.369 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.79 -31.39 71.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -76.38 -30.23 57.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.228 0.537 . . . . 0.0 109.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.71 -8.25 59.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.272 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 46.4 mm-40 -108.01 -51.31 2.92 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -89.48 -30.15 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.722 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.04 -141.97 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -88.27 25.96 0.61 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.817 2.345 . . . . 0.0 111.621 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -77.7 56.94 1.56 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.529 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.738 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 47.8 m95 -55.39 -22.6 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.889 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.416 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 32.8 t-20 -60.89 -39.61 89.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.65 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 1.8 mptp? -85.54 -32.58 22.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.752 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.738 ' HB ' ' HA ' ' A' ' 75' ' ' TRP . 25.0 mm -60.53 -42.85 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.302 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -64.39 -14.44 56.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.021 0.439 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.65 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 32.3 mttp -83.57 -26.03 30.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.421 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -85.88 -22.99 27.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.37 0.605 . . . . 0.0 109.368 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.83 76.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 83.6 tttt -58.69 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.964 -1.017 . . . . 0.0 112.14 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.3 t-20 172.36 -44.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.768 0.668 . . . . 0.0 111.724 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -103.05 151.28 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -109.98 175.96 5.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.714 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 3.8 t30 -55.63 -20.87 15.26 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -83.41 -45.31 13.83 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.316 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.58 -49.36 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' HD3' ' NE1' ' A' ' 75' ' ' TRP . 3.8 tpt85 -57.37 -38.61 74.47 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.998 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 16.0 t-20 -64.2 -53.75 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.24 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 1.4 tpp180 -68.12 -30.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.557 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.501 ' HZ3' ' HB3' ' A' ' 64' ' ' LEU . 69.3 t-105 -59.23 -48.53 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.6 ttt -73.64 -37.37 65.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.394 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 93' ' ' ARG . 1.7 tmt? -62.52 -47.79 82.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.493 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.53 -24.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.085 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.56 -32.79 73.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.975 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -64.81 -25.53 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -90.7 -34.89 15.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -66.89 -35.63 80.44 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.133 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.15 -0.12 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.956 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 51.42 -145.93 0.49 Allowed 'General case' 0 CA--C 1.529 0.165 0 O-C-N 123.569 0.543 . . . . 0.0 111.996 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -166.3 142.1 4.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.75 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -116.11 152.06 34.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -148.24 -64.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.255 179.81 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.441 0.746 0 C4'-C3'-C2' 102.162 -1.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.501 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.362 1.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.501 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.226 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.461 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 102.072 -1.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.446 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.108 0.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.582 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 104.561 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.582 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 105.076 1.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.647 ' OP1' ' HB2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 104.65 1.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.499 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 105.023 1.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.408 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 104.352 1.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.418 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 104.336 1.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.501 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 107.272 1.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.501 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-N19 108.715 1.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.499 " H1'" " H5'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 N19-C1'-C2' 116.089 1.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.499 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C2'-C3'-O3' 113.371 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.423 " H5'" " H1'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 O4'-C1'-C2' 107.231 1.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-C2' 107.08 0.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.495 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C2'-C3'-O3' 113.7 1.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.495 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C2'-C3'-O3' 113.449 1.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.516 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.733 0 O4'-C1'-C2' 107.33 1.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.711 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 P-O3'-C3' 120.654 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.483 H2'' ' OP2' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 104.709 1.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.546 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 104.256 1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.607 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.73 1.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.607 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 104.858 1.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.546 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 104.27 1.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.478 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C2'-C3'-O3' 112.989 0.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.522 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 C2'-C3'-O3' 113.198 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.522 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.666 1.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.505 " H1'" " H5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.243 1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.505 " H5'" " H1'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.414 1.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.501 " H5'" " H1'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 N19-C1'-C2' 115.617 0.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.543 ' HG2' " O3'" ' C' ' 28' ' ' ' DA' . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.816 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.816 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.566 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.424 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.658 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.641 ' HG3' ' C6 ' ' B' ' 8' ' ' ' DC' . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.566 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.503 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.503 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.56 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.446 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.686 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.452 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.603 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.424 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.409 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.526 0 C2'-C3'-O3' 113.483 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.527 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.796 0 O4'-C1'-C2' 107.347 1.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.527 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.442 0.813 0 O4'-C1'-C2' 107.231 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.453 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.119 -1.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.453 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.124 0.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.603 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.442 1.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.603 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C2'-C3'-O3' 114.641 1.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.641 ' C6 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 104.503 1.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.51 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C3'-C2'-C1' 104.457 1.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.455 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 104.52 1.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.455 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.532 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-C2' 107.324 1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.532 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O4'-C1'-N19 108.662 1.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.575 " H1'" " H5'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.4 1.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.575 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C2'-C3'-O3' 113.37 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.419 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-C2' 107.353 1.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.528 HO5' " H2'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 107.11 0.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.505 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C2'-C3'-O3' 113.63 1.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.505 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C2'-C3'-O3' 113.551 1.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.442 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 107.251 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.658 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 106.965 0.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.49 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 104.572 1.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.589 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.378 1.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.6 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 104.366 1.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.6 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C3'-C2'-C1' 104.844 1.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.535 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-C1' 104.131 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.48 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C2'-C3'-O3' 113.18 0.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.543 " O3'" ' HG2' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.151 1.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 107.198 0.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.48 ' C6 ' ' H73' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.352 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.48 ' H73' ' C6 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 107.307 1.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.456 ' H72' ' C6 ' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.072 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.566 0.222 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 m -84.49 3.1 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 111.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 62.39 172.11 0.13 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.805 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.583 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.67 -171.8 0.15 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.347 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.907 HG21 ' HG2' ' A' ' 8' ' ' GLU . 11.2 t 172.96 179.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.82 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 111.584 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.98 -35.16 79.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.329 . . . . 0.0 111.307 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.907 ' HG2' HG21 ' A' ' 5' ' ' THR . 6.7 mm-40 -76.81 -28.6 55.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.47 -45.55 88.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.063 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.49 -36.14 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.558 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HZ3' ' CD ' ' A' ' 8' ' ' GLU . 89.3 mttt -66.36 -34.54 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 37.2 tp -59.54 -49.63 77.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.29 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -55.72 -39.78 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.826 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.06 -45.67 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG22 ' A' ' 27' ' ' ILE . 6.4 mp -64.51 -41.79 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 12' ' ' LEU . 76.0 t -64.76 -31.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.219 0.533 . . . . 0.0 110.344 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.42 -37.27 71.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -85.36 -42.5 14.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.01 -41.44 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.89 -160.57 14.02 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 24.73 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 111.074 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -126.54 -47.26 1.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.387 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.78 62.79 4.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.168 0.509 . . . . 0.0 111.708 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -73.4 -16.61 61.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.44 -40.99 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.023 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -34.25 73.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.707 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HD23 ' A' ' 15' ' ' LEU . 64.1 mt -78.77 -30.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.857 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -67.65 -16.73 64.3 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.356 0.598 . . . . 0.0 110.782 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.17 -23.47 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.621 0.724 . . . . 0.0 109.784 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.2 mt -95.15 -47.0 6.55 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.6 mtt -99.54 90.45 4.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -100.15 -13.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.426 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.7 8.93 34.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.653 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 8.3 ttm105 -134.03 143.18 47.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.836 -0.165 . . . . 0.0 110.947 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.958 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 46.4 t-20 -61.3 120.9 59.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.25 -40.98 22.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.71 2.94 . . . . 0.0 113.472 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' NH1' ' H61' ' C' ' 22' ' ' ' DA' . 38.3 mtm105 -70.2 -20.21 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.958 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 7.9 mm100 -73.63 -30.13 62.78 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.183 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.87 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.427 HH12 " H3'" ' C' ' 21' ' ' ' DT' . 33.9 ttm180 -74.52 -43.89 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.802 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 16.6 tt0 -64.99 -24.88 67.64 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' NH1' " H3'" ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -76.77 -56.56 4.5 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.275 179.462 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -40.36 77.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.193 0.52 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -66.38 -20.96 66.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.483 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' HD22 ' A' ' 51' ' ' LEU . 50.1 m-80 -121.03 7.65 10.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' HD2' HG22 ' A' ' 47' ' ' ILE . 71.4 t80 -122.5 -52.83 1.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.214 0.916 . . . . 0.0 112.927 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.401 HG22 ' HD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -109.0 -4.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 9.2 t30 -88.03 -55.12 0.34 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 49.9 Cg_endo -97.32 -176.45 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.442 2.095 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.3 62.35 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -73.44 78.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.3 0.572 . . . . 0.0 112.386 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -153.58 0.5 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.763 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 m 37.02 54.54 1.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER 67.93 163.76 0.13 Allowed Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.345 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.7 Cg_endo -71.98 -152.08 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.359 2.039 . . . . 0.0 112.245 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.423 ' HD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.84 165.63 13.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.538 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.57 163.64 38.06 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.128 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.9 Cg_exo -56.73 -18.71 27.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.048 2.498 . . . . 0.0 112.981 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.49 -43.52 72.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.28 -34.58 72.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.836 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.5 OUTLIER -58.29 -44.05 88.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.04 -37.28 64.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.761 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.63 -38.54 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.085 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD22 ' HZ3' ' A' ' 75' ' ' TRP . 1.3 tt -60.73 -44.55 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.64 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' HB2' ' HH2' ' A' ' 94' ' ' TRP . 36.2 t70 -58.99 -35.92 74.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.203 0.525 . . . . 0.0 110.541 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.15 -49.98 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.48 -25.18 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -75.44 -23.62 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.732 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.71 -5.8 53.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -110.3 -46.58 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.325 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -92.2 -36.25 13.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.272 0.558 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.8 -160.61 15.36 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.7 35.2 0.56 Allowed 'Trans proline' 0 CA--C 1.527 0.129 0 C-N-CA 122.821 2.347 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -83.26 63.64 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.629 ' HZ3' HD22 ' A' ' 64' ' ' LEU . 43.1 m95 -47.94 -35.42 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.611 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 2.6 t-20 -61.12 -29.92 70.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.274 0.559 . . . . 0.0 110.78 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -87.72 -36.39 17.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.302 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.57 -39.53 84.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 p -64.59 -16.21 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.139 0.495 . . . . 0.0 111.618 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 37.1 mttp -80.32 -21.33 42.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.112 0.482 . . . . 0.0 110.485 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.72 -16.89 23.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.354 0.597 . . . . 0.0 109.564 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.486 HD22 ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -117.56 90.74 3.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.456 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 68.6 tttt -71.85 75.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.464 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 7.1 t-20 177.17 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 3.7 mmt180 -95.25 141.47 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 90' ' ' ILE . 5.2 p -105.63 176.94 5.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -72.38 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.83 -24.08 34.34 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -79.65 -50.02 11.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 86' ' ' SER . 81.5 mt -62.79 -42.36 95.99 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.413 HH21 ' P ' ' C' ' 24' ' ' ' DC' . 1.2 tpp180 -60.08 -48.24 82.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.44 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.91 -46.65 88.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -64.91 -47.84 76.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.506 ' HH2' ' HB2' ' A' ' 65' ' ' ASP . 73.9 t-105 -60.79 -41.98 96.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.193 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 10.9 ttt -67.8 -34.93 77.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -78.08 -49.25 14.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.858 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 97' ' ' ILE . 7.9 tp -63.91 -29.2 46.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.79 70.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -73.83 -23.26 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.776 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -90.29 -31.17 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -69.54 -39.63 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.198 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.43 4.98 13.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 51.77 -150.76 0.29 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -162.1 101.98 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.718 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -58.21 149.24 24.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -154.76 -52.77 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.985 0.422 . . . . 0.0 109.956 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 179.797 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.216 1.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.5 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.772 0 O4'-C1'-C2' 107.161 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.145 0.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.504 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.232 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.47 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.13 0.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.53 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.749 0 O4'-C1'-C2' 107.391 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.53 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.752 0 C3'-C2'-C1' 104.767 1.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.506 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.798 0 C3'-C2'-C1' 105.098 1.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.539 " H1'" " H5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.521 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.539 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 104.346 1.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.433 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 C3'-C2'-C1' 104.159 1.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.547 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.547 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.306 1.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.495 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.452 1.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.493 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C2'-C3'-O3' 113.401 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.459 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O4'-C1'-C2' 107.197 0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 107.11 0.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C2'-C3'-O3' 113.864 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.463 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 102.266 -0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.499 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.258 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.499 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.048 0.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.606 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.556 1.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.611 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.775 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.451 " H5'" " H1'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C3'-C2'-C1' 104.798 1.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.53 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.913 1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.53 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 104.195 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.503 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C2'-C3'-O3' 113.168 0.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.495 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.275 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.495 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.738 1.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.482 " H1'" " H5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.252 1.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.495 ' C6 ' ' H72' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.343 1.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.495 ' H72' ' C6 ' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 N19-C1'-C2' 115.585 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.555 ' HE3' H5'' ' C' ' 28' ' ' ' DA' . 44.5 tttp . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.32 10.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 mttt 60.38 -176.35 0.11 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.508 0.505 . . . . 0.0 110.876 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.539 ' HB2' ' OP1' ' B' ' 8' ' ' ' DC' . 6.3 t80 62.87 168.3 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.691 HG21 ' HG2' ' A' ' 8' ' ' GLU . 9.5 t 169.01 170.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.195 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.48 -39.04 78.88 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.348 0.405 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.2 mt-10 -59.34 -22.46 61.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.626 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.691 ' HG2' HG21 ' A' ' 5' ' ' THR . 14.4 mm-40 -87.51 -33.77 18.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.14 -45.38 83.61 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.467 0.651 . . . . 0.0 109.452 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.92 -42.09 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.739 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 46.7 mttp -63.3 -41.35 98.96 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.65 -52.56 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.522 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -52.77 -38.61 61.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.484 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.45 -46.48 26.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD23 HG12 ' A' ' 27' ' ' ILE . 7.7 mp -64.27 -48.56 75.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.53 -33.44 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 110.669 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 ttt -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -87.52 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.645 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 23.9 m-85 -89.97 -44.92 9.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.17 -165.07 15.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.027 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.36 25.83 9.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.779 0.323 . . . . 0.0 111.838 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -141.3 -31.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.645 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 37.1 t0 -80.38 49.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.482 . . . . 0.0 111.923 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -69.88 -19.84 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.277 0.56 . . . . 0.0 109.985 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 pt -67.0 -31.02 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.155 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -64.92 -31.52 72.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG12 HD23 ' A' ' 15' ' ' LEU . 54.8 mt -76.72 -27.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.411 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' MET . 3.3 m -66.76 -14.01 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.615 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.31 -36.43 81.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.355 0.598 . . . . 0.0 109.646 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 mt -93.08 -50.98 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' ' 28' ' ' SER . 50.1 mtt -98.08 93.26 6.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -104.25 -9.97 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.0 110.641 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.51 18.93 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.608 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 34.5 ttm180 -145.67 147.83 32.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 1.058 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 97.9 m-20 -63.06 136.39 96.66 Favored Pre-proline 0 C--O 1.236 0.365 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.37 -38.44 82.5 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.516 2.144 . . . . 0.0 111.578 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.759 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 26.3 mtm105 -70.25 -22.35 62.9 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.717 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 1.058 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 8.2 mm100 -69.92 -34.24 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.011 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 22.8 m -67.23 -34.24 77.05 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 54.7 ttt180 -70.5 -37.84 74.22 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.552 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.5 tt0 -65.17 -28.06 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.735 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.711 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 1.7 mmp_? -72.5 -58.84 3.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 6.1 t-105 -56.1 -50.16 71.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 m-20 -63.33 -26.22 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 24.2 m-80 -114.29 15.07 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -140.4 -52.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.23 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.556 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -102.59 -17.08 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -177.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.705 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.5 t-20 -77.48 -57.46 1.05 Allowed Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 48.8 Cg_endo -97.27 -171.68 0.16 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.466 2.111 . . . . 0.0 112.192 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.83 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.91 73.11 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.94 179.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 52' ' ' ARG . 35.2 mtp180 -140.01 -154.12 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.94 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 33.03 52.67 0.34 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -179.238 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' THR . 15.7 m-20 72.84 153.4 0.15 Allowed Pre-proline 0 N--CA 1.474 0.773 0 O-C-N 123.438 0.461 . . . . 0.0 111.696 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HB2' ' H ' ' A' ' 56' ' ' TRP . 67.7 Cg_endo -74.77 -144.45 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.538 2.159 . . . . 0.0 112.369 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.49 ' H ' ' HB2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -92.09 158.32 16.27 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.278 -0.264 . . . . 0.0 110.623 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.88 169.28 12.03 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.6 Cg_exo -57.55 -16.6 24.59 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.974 2.449 . . . . 0.0 113.099 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.42 -44.2 68.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -74.15 -33.67 63.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.84 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.918 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -71.67 -35.99 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.24 -42.87 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.019 0.438 . . . . 0.0 110.372 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD22 ' HZ3' ' A' ' 75' ' ' TRP . 6.8 tt -61.71 -39.9 93.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.69 -39.84 68.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.06 -50.82 29.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.32 -22.51 66.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.689 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -73.41 -24.7 60.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.22 0.533 . . . . 0.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.62 2.23 44.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.172 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -112.23 -53.97 2.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.692 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -93.78 -32.77 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.221 0.534 . . . . 0.0 109.671 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.36 -162.09 16.96 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.21 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.46 37.88 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.762 2.308 . . . . 0.0 111.807 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -89.32 62.29 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.171 0.51 . . . . 0.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.638 ' HZ3' HD22 ' A' ' 64' ' ' LEU . 24.6 m95 -48.9 -28.25 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.803 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.727 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 11.6 t-20 -54.33 -40.5 68.06 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.132 0.491 . . . . 0.0 109.75 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -83.41 -36.57 24.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.799 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.72 -43.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -66.41 -22.08 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.268 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -81.41 -29.78 33.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.45 -58.02 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.7 92.3 6.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.48 92.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.069 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.72 -72.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -103.58 167.88 9.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.058 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 p -107.02 -178.84 3.76 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.374 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -46.36 -84.13 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -29.04 28.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.58 -46.86 65.38 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.178 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.86 -42.74 86.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 tpt180 -56.9 -48.61 77.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.56 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.56 -47.06 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.254 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 2.0 tpp180 -64.51 -39.9 94.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.721 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -61.2 -47.4 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 0.0 110.47 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 ttt -65.58 -31.7 72.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.491 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 ttt -74.26 -50.09 20.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.049 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 tp -69.86 -30.69 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.09 91.23 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.805 0.336 . . . . 0.0 110.426 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -65.25 -26.37 68.07 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.362 0.601 . . . . 0.0 110.48 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -85.71 -32.78 21.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.763 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -72.73 -36.72 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.61 1.33 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.29 -143.36 0.73 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.809 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -164.49 125.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -80.95 147.26 30.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -164.64 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.099 0.476 . . . . 0.0 110.458 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.412 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.793 0 C2'-C3'-O3' 113.292 0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.508 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C2'-C3'-O3' 113.256 0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.508 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 107.262 1.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.499 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C4'-C3'-C2' 102.124 -1.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.475 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 103.93 0.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.549 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 104.693 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.549 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 104.658 1.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.539 ' OP1' ' HB2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 104.523 1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.608 ' OP2' ' HA ' ' A' ' 34' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 104.915 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.474 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 104.613 1.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.412 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 104.168 1.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.536 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 107.266 1.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.536 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.716 1.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.528 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 107.427 1.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.481 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C2'-C3'-O3' 113.03 0.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.342 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.539 0 O4'-C1'-C2' 107.073 0.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C2'-C3'-O3' 113.774 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.488 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C2'-C3'-O3' 113.686 1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.508 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.21 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.759 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.442 0.857 0 C3'-C2'-C1' 104.481 1.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.727 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 104.655 1.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.614 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.314 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.614 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 104.509 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.545 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 104.746 1.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.535 " H1'" " H5'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C2'-C3'-O3' 113.726 1.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.555 H5'' ' HE3' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C2'-C3'-O3' 113.239 0.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.525 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.273 1.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.461 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.239 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.449 " H5'" " H1'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.622 0 O4'-C1'-C2' 107.221 1.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.439 ' H72' ' C6 ' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.11 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.6 tttp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.636 0.255 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.405 HG11 H5'' ' C' ' 29' ' ' ' DT' . 19.0 m -67.7 -12.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HZ1' H5'' ' B' ' 9' ' ' ' DG' . 34.1 mmtp 71.98 139.12 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.538 0.524 . . . . 0.0 111.436 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 63.62 -170.61 0.18 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.357 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.794 HG21 ' HG2' ' A' ' 8' ' ' GLU . 4.6 t 176.37 176.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.402 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 30.5 mt-10 -60.34 -42.26 95.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.36 0.413 . . . . 0.0 111.903 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.7 -41.01 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.794 ' HG2' HG21 ' A' ' 5' ' ' THR . 18.1 mm-40 -68.88 -33.28 73.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.231 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.8 -39.39 94.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.254 0.55 . . . . 0.0 109.876 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 58.0 mt -63.83 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.09 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.18 -29.59 64.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.618 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.433 HD21 ' HG2' ' A' ' 42' ' ' ARG . 23.3 tp -56.72 -49.23 75.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.623 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -58.97 -32.01 69.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 0.0 110.513 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 84.2 mm-40 -74.8 -43.78 52.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.275 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD22 HD13 ' A' ' 30' ' ' LEU . 5.9 mp -66.35 -43.81 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.747 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.58 -39.61 76.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.857 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -56.91 -28.71 62.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.883 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 14' ' ' GLN . 5.3 mtp180 -101.69 -25.9 13.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.25 -32.79 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.34 -136.97 13.2 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.943 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.57 21.55 3.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -130.78 -43.3 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.828 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.08 64.77 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.428 ' HE3' HD11 ' A' ' 27' ' ' ILE . 73.4 m95 -81.68 -8.25 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.133 0.492 . . . . 0.0 109.895 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.5 mt -73.81 -29.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.966 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -26.5 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.841 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG12 HD23 ' A' ' 15' ' ' LEU . 63.1 mt -77.43 -36.94 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 31' ' ' MET . 7.3 m -59.2 -18.15 34.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.188 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.33 -30.47 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.236 0.541 . . . . 0.0 109.846 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 HD13 HD22 ' A' ' 15' ' ' LEU . 65.1 mt -89.37 -48.4 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' SER . 3.3 ttm -112.75 101.51 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 tt -104.63 -4.8 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 0.0 111.278 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.49 13.79 14.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.84 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HA ' ' OP1' ' B' ' 9' ' ' ' DG' . 12.6 ptm85 -138.72 153.39 48.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.347 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.985 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 38.7 t-20 -64.76 123.97 84.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.832 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.72 -44.53 40.27 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.419 2.746 . . . . 0.0 113.04 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -65.43 -25.16 67.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.697 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.985 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 8.9 mm100 -69.1 -20.01 64.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.496 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.09 -33.26 65.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -72.09 -45.39 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 7.6 tt0 -61.32 -24.63 66.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.09 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HG2' HD21 ' A' ' 12' ' ' LEU . 2.3 tpm_? -71.27 -62.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.836 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.89 -38.65 89.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.055 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 54.3 t30 -66.57 -22.41 66.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -113.95 11.78 17.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -142.93 -42.29 0.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' HB ' ' HE3' ' A' ' 43' ' ' TRP . 2.1 mt -101.18 -15.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.096 0.474 . . . . 0.0 111.72 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.724 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 62.1 t30 -87.77 -59.3 0.26 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 62.6 Cg_endo -92.6 178.67 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.356 2.038 . . . . 0.0 111.474 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.14 93.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -96.55 76.12 2.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.275 0.559 . . . . 0.0 111.188 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -127.67 -36.39 2.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 47.65 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.792 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 41.7 m-20 60.04 174.86 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.888 0.475 . . . . 0.0 111.777 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 70.6 Cg_endo -75.21 177.21 8.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.915 1.744 . . . . 0.0 110.601 177.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.461 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.56 151.54 16.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 178.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.41 166.87 37.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.306 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -54.85 -22.87 31.53 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.86 2.373 . . . . 0.0 112.705 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.58 -41.29 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.864 ' HG2' HD11 ' A' ' 82' ' ' LEU . 2.1 mp0 -74.05 -32.99 63.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.689 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.1 -43.97 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.267 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 69.6 mtm -69.2 -39.08 78.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.9 -42.34 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.6 HD22 ' HZ3' ' A' ' 75' ' ' TRP . 1.9 tt -61.2 -40.03 92.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.954 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.25 -39.76 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.93 -43.17 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.05 -23.76 62.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.759 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -75.08 -31.59 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.531 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -40.65 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -89.79 -122.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -10.98 -60.44 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.73 -157.4 15.1 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.61 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.25 37.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.205 2.604 . . . . 0.0 112.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -82.21 62.62 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.6 ' HZ3' HD22 ' A' ' 64' ' ' LEU . 6.5 m95 -45.42 -38.45 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.598 ' HB2' ' P ' ' C' ' 23' ' ' ' DT' . 3.0 t-20 -68.43 -17.09 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.375 . . . . 0.0 111.577 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -100.72 -41.33 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.51 -24.88 33.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -66.39 -10.9 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.577 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 4.7 mptt -77.66 -28.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -86.29 -22.86 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.071 0.463 . . . . 0.0 110.022 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.864 HD11 ' HG2' ' A' ' 60' ' ' GLU . 1.4 mm? -110.55 83.14 1.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.724 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -64.79 86.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 154.94 -37.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.723 1.264 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -83.04 125.56 31.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.583 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' HG13 ' A' ' 90' ' ' ILE . 10.7 p -103.13 173.3 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -70.54 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.65 -25.43 64.69 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 25.3 t-20 -70.0 -51.29 33.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.546 0.212 . . . . 0.0 110.796 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 86' ' ' SER . 52.1 mt -68.79 -37.48 77.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' CZ ' " H2'" ' C' ' 24' ' ' ' DC' . 0.8 OUTLIER -54.71 -52.53 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.447 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.537 HD22 ' H61' ' B' ' 7' ' ' ' DA' . 3.6 m-20 -69.45 -38.81 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -64.51 -40.28 95.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -59.35 -45.26 91.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.683 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 45.0 ttm -67.53 -39.74 85.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -49.79 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.825 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 97' ' ' ILE . 5.5 tp -66.07 -33.32 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.843 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.47 87.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.33 -28.5 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.113 0.483 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -88.92 -20.51 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.264 0.554 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.1 tpm_? -86.41 -33.63 20.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.369 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -1.72 13.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.181 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 59.92 -163.32 0.24 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.969 0.414 . . . . 0.0 111.499 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -155.38 104.94 2.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.784 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -74.65 154.07 38.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.507 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -163.4 -54.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.165 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.388 179.419 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.44 0.685 0 C2'-C3'-O3' 113.042 0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.447 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.801 0 O4'-C1'-C2' 107.256 1.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.495 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.131 0.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.495 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.44 0.69 0 O4'-C1'-C2' 107.241 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.456 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.307 1.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.489 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 104.344 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.537 ' H61' HD22 ' A' ' 92' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.754 1.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.554 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.784 0 C3'-C2'-C1' 105.039 1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.612 ' N7 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.575 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 108.847 1.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.484 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.216 1.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.536 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.363 1.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.536 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-N19 108.751 1.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.562 " H1'" " H5'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.443 1.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.562 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C2'-C3'-O3' 113.714 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.468 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.435 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.623 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.45 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C2'-C3'-O3' 113.893 1.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.475 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C2'-C3'-O3' 113.451 1.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.518 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.225 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.518 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.95 0.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.601 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.473 1.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.601 " H5'" " H1'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.008 1.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.498 " H5'" " H1'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-C1' 104.945 1.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.556 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 104.794 1.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.556 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.417 1.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.467 " H1'" " H5'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C2'-C3'-O3' 113.442 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.498 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.059 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.513 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.185 0.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.513 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.224 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.471 ' H71' ' C6 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.352 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.466 " H5'" " H1'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.62 0.247 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.0 -4.56 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt 65.73 172.45 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.619 0.574 . . . . 0.0 112.259 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB2' ' OP1' ' B' ' 8' ' ' ' DC' . 1.7 t80 63.19 178.47 0.15 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.771 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.895 HG21 ' HG2' ' A' ' 8' ' ' GLU . 4.2 t 167.73 171.77 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.33 -44.14 97.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.22 -40.93 71.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.201 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.895 ' HG2' HG21 ' A' ' 5' ' ' THR . 17.9 mm-40 -70.2 -31.1 68.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.549 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 42' ' ' ARG . 13.4 t70 -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.306 0.574 . . . . 0.0 110.367 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.2 -41.69 98.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.301 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -66.95 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.314 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.0 tp -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -55.98 -42.47 76.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.939 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -68.25 -45.38 73.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.666 ' HG ' ' HE2' ' A' ' 19' ' ' TYR . 8.4 mp -65.23 -42.23 93.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.04 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.8 -32.36 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.323 0.582 . . . . 0.0 110.168 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.1 ttt -69.64 -36.38 76.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.453 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -83.42 -48.65 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.666 ' HE2' ' HG ' ' A' ' 15' ' ' LEU . 93.3 m-85 -84.62 -35.14 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.85 -161.88 12.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.856 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.01 24.5 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.974 0.416 . . . . 0.0 111.244 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -136.49 -34.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.645 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -84.35 53.04 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.171 0.51 . . . . 0.0 111.993 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -69.43 -23.25 63.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.722 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.1 pt -65.9 -35.17 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -23.93 65.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.279 0.561 . . . . 0.0 109.966 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG22 HD23 ' A' ' 15' ' ' LEU . 82.3 mt -82.11 -28.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -68.75 -6.87 29.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.18 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -73.23 -26.92 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.35 -36.09 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.0 mtt -101.62 83.83 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -94.73 -15.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.919 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.99 24.54 5.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 35.3 ttm105 -143.98 142.74 30.88 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.217 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.75 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -62.73 132.63 94.73 Favored Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.41 -36.76 70.64 Favored 'Trans proline' 0 N--CA 1.473 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 111.509 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.616 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 24.4 mtm105 -75.4 -18.57 59.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.05 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.75 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.88 -38.17 76.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 43.2 m -64.1 -36.69 84.85 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -67.73 -42.59 81.66 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.648 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.01 -29.78 70.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 9' ' ' ASP . 5.7 mmm180 -71.22 -57.62 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.312 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -58.7 -49.08 78.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -62.43 -20.84 64.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.371 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.5 23.73 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.642 ' HA ' HD22 ' A' ' 51' ' ' LEU . 19.3 t80 -156.47 -45.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -26.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 6.1 t30 -76.42 -57.44 1.33 Allowed Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 64.4 Cg_endo -94.6 -173.4 0.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.154 1.903 . . . . 0.0 111.949 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.14 58.53 0.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.695 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -67.3 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.757 . . . . 0.0 112.361 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' H ' ' A' ' 53' ' ' THR . 43.6 mtp180 -147.07 -145.88 0.18 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.934 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER 41.65 48.4 3.58 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.766 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 6.8 m-20 64.35 171.83 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.653 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.766 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.6 Cg_endo -72.18 -159.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.032 1.822 . . . . 0.0 112.08 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.479 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -83.73 166.25 18.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.18 164.5 21.23 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.1 Cg_exo -57.12 -17.62 25.93 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.57 -41.68 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -74.52 -39.2 62.53 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.4 t70 -54.99 -42.05 72.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.2 mtt -77.78 -42.04 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.163 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.5 -44.53 64.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.59 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -58.96 -39.91 83.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.746 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.63 -35.74 61.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 3.4 tt0 -77.79 -50.73 11.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.43 -27.02 68.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -76.47 -24.54 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.575 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.29 -5.43 58.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 54.6 mm-40 -105.0 -53.85 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -88.24 -29.4 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.638 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 74' ' ' LYS . . . 103.69 -158.37 17.15 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.96 32.89 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.965 2.444 . . . . 0.0 111.733 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 72' ' ' GLY . 64.2 mttp -82.67 61.12 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.432 ' HZ3' ' CD2' ' A' ' 64' ' ' LEU . 36.9 m95 -52.06 -31.07 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.537 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.696 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 22.7 t-20 -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -78.81 -34.03 45.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.748 HG21 HD22 ' A' ' 64' ' ' LEU . 41.8 mm -71.14 -38.41 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.107 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -61.11 -14.97 28.12 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -74.61 -17.85 60.65 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -100.36 -13.47 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.158 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -121.27 83.1 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 69.2 tttt -67.51 83.71 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.933 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 23.0 t-20 166.64 -39.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.954 0.784 . . . . 0.0 111.136 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 56' ' ' TRP . 22.2 mmt180 -97.77 135.52 39.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.374 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 p -105.57 174.74 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -55.24 -26.41 39.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.51 -52.26 16.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.39 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.17 -44.15 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' NH2' " H3'" ' C' ' 24' ' ' ' DC' . 1.1 tpp180 -57.24 -49.11 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -48.57 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 12.5 tpp180 -68.79 -38.47 80.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.418 ' HA ' HG23 ' A' ' 97' ' ' ILE . 68.3 t-105 -62.33 -45.28 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.987 0.423 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.3 ttt -65.35 -23.56 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.722 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -49.06 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.381 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.427 HG21 ' HZ3' ' A' ' 56' ' ' TRP . 10.0 tp -65.41 -33.19 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.51 -33.37 72.52 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.009 0.433 . . . . 0.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -67.47 -23.98 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.645 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -89.01 -40.47 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.972 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -68.58 -34.15 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.737 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.25 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.451 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 49.66 -147.38 0.33 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.32 110.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.75 160.18 33.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -152.34 -64.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.434 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.17 179.706 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.413 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.616 0 C2'-C3'-O3' 113.362 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.491 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.995 0 O4'-C1'-C2' 107.339 1.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.491 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.478 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.046 -1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.484 " H1'" " H5'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.18 0.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.66 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.482 1.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.66 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C2'-C3'-O3' 114.412 1.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.612 ' OP1' ' HB2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C3'-C2'-C1' 104.507 1.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.519 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C3'-C2'-C1' 104.712 1.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.565 ' N6 ' HH12 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C3'-C2'-C1' 104.482 1.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.429 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C3'-C2'-C1' 104.118 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.509 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.351 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.509 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O4'-C1'-N19 108.724 1.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.527 " H1'" " H5'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.438 1.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.527 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 C2'-C3'-O3' 113.27 0.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.41 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-C2' 107.258 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.4 " O5'" ' H6 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.1 0.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C2'-C3'-O3' 114.022 1.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.488 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-C2' 107.154 0.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.442 H2'' ' OP2' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.331 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.616 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 106.999 0.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.516 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 104.535 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.696 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 104.771 1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.599 " H5'" " H1'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 104.347 1.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.565 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 104.489 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.517 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 104.708 1.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.498 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C2'-C3'-O3' 113.681 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.502 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.144 0.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.502 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.689 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.525 " H1'" " H5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C2'-C3'-O3' 113.318 1.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.525 " H5'" " H1'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.162 0.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.448 " H5'" " H1'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.144 0.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.548 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.859 ' HD2' ' P ' ' B' ' 8' ' ' ' DC' . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.816 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.638 ' HG2' HG21 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.566 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.424 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' NE ' ' OP1' ' B' ' 8' ' ' ' DC' . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.615 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.706 ' HG3' ' C6 ' ' B' ' 8' ' ' ' DC' . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.74 ' HD3' ' OP2' ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.503 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.503 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.56 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.446 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.686 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.634 ' HD1' ' P ' ' C' ' 24' ' ' ' DC' . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.603 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.605 ' NH1' ' OP2' ' C' ' 25' ' ' ' DG' . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 1.289 HH12 ' P ' ' B' ' 5' ' ' ' DT' . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.424 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.635 0 C2'-C3'-O3' 113.255 0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.485 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C2'-C3'-O3' 113.391 1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.485 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.158 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.173 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 1.289 ' P ' HH12 ' A' ' 93' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.098 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.599 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.343 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.74 ' OP2' ' HD3' ' A' ' 42' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 104.971 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DC' . . . . . 0.859 ' P ' ' HD2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.511 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.536 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 104.625 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.467 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DT' . . . . . 0.467 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 104.261 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.569 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.37 1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.569 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.839 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . 0.533 " H1'" " H5'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.533 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C2'-C3'-O3' 113.772 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DA' . . . . . 0.499 " H5'" " H1'" ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.205 1.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.485 ' H6 ' " O5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.438 0.57 0 O4'-C1'-C2' 107.053 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.493 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 114.014 1.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.493 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.356 1.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.615 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.442 0.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.498 ' N7 ' ' HD2' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.649 1.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.521 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.418 1.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.634 ' P ' ' HD1' ' A' ' 75' ' ' TRP . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.609 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C2'-C3'-O3' 114.333 1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.494 H2'' ' OP2' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 104.58 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 113.574 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.531 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 104.135 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ' DT' . . . . . 0.531 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-N19 108.581 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.472 " H1'" " H5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.281 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.472 " H5'" " H1'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.23 1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ' DT' . . . . . 0.406 " H5'" " H1'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.588 0.232 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.85 0.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 mttt 63.43 175.32 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.025 ' HE2' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER 60.39 176.79 0.09 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.006 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 5.6 t 170.27 171.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 37.5 mt-10 -62.5 -43.52 98.62 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.682 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -33.15 61.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.412 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.544 ' CG ' HH21 ' A' ' 42' ' ' ARG . 23.8 t70 -64.21 -39.19 93.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 86.8 mt -64.93 -35.26 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.007 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.82 -31.93 71.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.203 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.9 tp -55.74 -48.76 74.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -54.94 -38.81 68.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.076 0.465 . . . . 0.0 111.191 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.3 -43.02 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.632 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.19 -44.46 91.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.573 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 12' ' ' LEU . 97.9 t -62.43 -39.57 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.141 0.496 . . . . 0.0 110.21 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -65.31 -38.03 88.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.535 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -84.79 -45.01 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CE2' ' HG ' ' A' ' 15' ' ' LEU . 20.9 m-85 -85.13 -34.75 22.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 -164.58 12.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.83 24.08 12.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.413 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 -32.87 0.4 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.768 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -79.43 50.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 0.0 110.564 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -69.04 -15.55 63.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.443 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.3 pt -66.35 -28.04 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -40.31 94.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.594 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 75.4 mt -74.08 -30.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.484 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.6 m -68.12 -9.37 45.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.298 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.12 -23.11 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.409 0.623 . . . . 0.0 109.411 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 mt -95.93 -32.03 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.1 mtt -128.54 103.61 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -105.81 -13.89 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 111.634 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.95 15.55 1.78 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.119 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.566 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 25.9 ttm105 -141.81 148.24 38.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.891 0.377 . . . . 0.0 111.883 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 2.6 t-20 -63.18 122.26 74.33 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.55 -38.91 28.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.154 2.569 . . . . 0.0 113.252 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -24.14 65.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.015 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' OE1' ' HB3' ' A' ' 35' ' ' ASN . 3.8 mp0 -74.32 -28.41 61.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.706 0.289 . . . . 0.0 111.274 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 21.5 m -65.41 -34.88 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -33.92 60.62 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.133 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -58.75 -40.62 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.649 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 1.025 ' HG3' ' HE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.02 -47.86 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.82 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' HE3' HD12 ' A' ' 47' ' ' ILE . 2.0 t-105 -56.46 -47.13 79.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.227 0.537 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -68.94 -26.17 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.111 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 37.6 m-80 -107.24 10.4 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -141.78 -50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.474 HD12 ' HE3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -98.98 -16.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 112.159 -177.581 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.647 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 50.6 t30 -79.97 -53.72 0.94 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.085 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 35.1 Cg_endo -100.77 -165.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.671 2.248 . . . . 0.0 112.762 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.79 60.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.238 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.544 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -75.07 79.89 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.133 0.492 . . . . 0.0 111.785 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB3' ' H ' ' A' ' 53' ' ' THR . 68.6 mtp180 -145.58 -156.17 0.68 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.044 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 1.9 m 37.34 57.4 1.33 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.024 0.828 . . . . 0.0 112.608 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 71.12 162.79 0.15 Allowed Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.081 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -72.13 -148.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.515 2.144 . . . . 0.0 111.74 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HH2' ' HA ' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -83.63 163.05 20.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.146 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.14 163.03 41.73 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.233 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 65.1 Cg_exo -54.42 -23.89 33.09 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.918 2.412 . . . . 0.0 112.255 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.63 -38.8 87.69 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.46 -36.54 52.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.59 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.1 t70 -56.5 -46.15 80.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mtt -80.81 -15.6 55.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.943 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -85.05 -42.31 14.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.23 -20.76 64.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.314 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.21 -44.31 95.25 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -84.74 -38.5 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.566 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -80.53 57.94 3.04 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -171.72 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.008 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -2.3 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.913 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -107.67 -32.24 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.599 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.3 m-85 -125.69 48.19 2.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.205 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 34.58 -138.65 0.19 Allowed Glycine 0 CA--C 1.523 0.576 0 O-C-N 124.226 0.954 . . . . 0.0 114.415 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -93.02 36.46 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 12.7 mptt -78.52 55.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.23 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -50.91 -31.28 17.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -56.29 -38.2 70.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.333 0.587 . . . . 0.0 110.262 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 54.0 mmtt -84.2 -31.48 25.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.775 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 74' ' ' LYS . 26.7 mm -68.89 -36.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.633 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -64.33 -16.19 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 42.7 mttp -81.14 -24.62 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.99 -21.36 26.21 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.01 77.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.14 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.35 87.44 0.01 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.009 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 177.33 -37.35 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -116.3 156.54 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.159 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 1.8 m -113.34 178.04 4.42 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -78.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -11.26 2.26 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.433 ' HB2' HD22 ' A' ' 51' ' ' LEU . 16.3 t-20 -90.04 -46.31 8.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.794 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 86' ' ' SER . 77.8 mt -69.77 -45.93 75.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.425 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -56.73 -47.14 80.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -60.66 -48.22 82.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.264 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 1.4 mpp_? -68.28 -32.36 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.443 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 73.4 t-105 -64.07 -47.09 81.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.32 -33.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.33 -51.19 55.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.952 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.9 tp -66.96 -31.0 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.511 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.41 71.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.743 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -65.23 -27.47 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.467 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -94.66 -35.98 11.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.478 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -66.18 -38.87 89.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.299 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 0.87 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 63.64 -168.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -146.57 100.62 3.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.402 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -71.08 145.9 49.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -158.2 -60.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.738 179.781 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.628 0.252 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.2 m -78.02 -5.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.234 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt 60.53 -176.04 0.11 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.548 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.673 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 1.6 t80 61.88 175.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.072 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.792 HG22 ' HG2' ' A' ' 8' ' ' GLU . 14.9 t 171.17 178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.324 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -58.51 -38.64 78.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.466 0.479 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.86 -41.1 97.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.792 ' HG2' HG22 ' A' ' 5' ' ' THR . 7.1 mm-40 -66.41 -36.43 82.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.69 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.69 -45.08 95.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.31 -39.5 93.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.262 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.38 -38.1 86.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 30.2 tp -58.82 -51.72 68.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -54.54 -33.87 60.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -81.79 -42.01 20.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.714 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 30' ' ' LEU . 5.3 mp -66.3 -42.1 88.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.553 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -33.56 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 109.63 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.7 ttt -68.48 -36.31 78.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.367 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -80.28 -47.2 14.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -89.5 -31.21 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.08 -177.79 18.83 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.49 30.4 2.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.79 -37.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.677 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 26' ' ' ARG . 7.0 t0 -82.19 59.17 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.416 ' HZ3' HD11 ' A' ' 12' ' ' LEU . 93.7 m95 -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 110.472 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 pt -68.9 -32.38 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 1.1 tpp180 -68.12 -26.88 66.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.52 -20.09 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.508 0.671 . . . . 0.0 109.292 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' MET . 5.0 m -71.58 -11.8 61.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.133 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -73.06 -24.27 60.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.214 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 15' ' ' LEU . 83.3 mt -102.61 -37.85 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 28' ' ' SER . 55.8 mtm -116.1 90.66 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.498 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tp -99.34 -20.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.86 13.91 9.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.094 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.673 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 15.6 ttm105 -133.58 139.85 46.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 20.4 t-20 -62.46 113.6 9.37 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 12.5 Cg_endo -55.92 -37.03 96.51 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.343 2.695 . . . . 0.0 112.132 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ttm105 -66.87 -28.15 68.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.658 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -81.01 -16.79 52.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 36' ' ' PRO . 50.8 m -69.88 -30.6 68.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -70.31 -35.03 73.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.2 tt0 -69.17 -12.82 62.01 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -96.13 -54.02 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -42.7 76.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.969 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 48' ' ' ASN . 21.8 t30 -81.52 -5.8 58.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.619 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 19.3 m-20 -122.45 8.35 9.6 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -135.13 -53.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.09 -14.54 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 10.6 t30 -81.89 -56.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 55.7 Cg_endo -93.23 -171.53 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.139 1.893 . . . . 0.0 112.023 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.51 66.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.548 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.824 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -76.31 73.69 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.236 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' H ' ' A' ' 53' ' ' THR . 74.6 mtp180 -137.4 -157.93 0.82 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.045 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 2.4 p 38.08 57.05 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 164.62 0.12 Allowed Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.77 -158.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.506 ' CZ2' ' HB3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.889 0.376 . . . . 0.0 110.981 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.29 160.44 42.57 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.123 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 69.0 Cg_exo -54.14 -28.48 51.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.204 2.602 . . . . 0.0 112.816 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.17 -39.95 82.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.314 0.578 . . . . 0.0 109.532 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.38 -34.67 61.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.459 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -62.14 -42.42 99.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.721 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.0 mtt -71.41 -39.05 71.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.7 -37.83 76.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.137 0.494 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' HZ3' ' A' ' 75' ' ' TRP . 35.1 tp -61.31 -42.12 98.14 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.503 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.92 -40.5 69.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.784 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -70.6 -50.35 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.799 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -65.78 -24.94 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 111.826 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -76.6 -29.54 56.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.797 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.13 -24.72 37.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.203 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -92.8 -43.18 9.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -92.42 -33.96 14.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.718 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.95 -164.52 18.49 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.1 34.29 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.983 2.455 . . . . 0.0 112.31 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.45 62.58 7.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 0.0 110.485 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.473 ' HZ3' HD11 ' A' ' 64' ' ' LEU . 62.2 m95 -49.57 -30.82 9.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -58.18 -36.9 73.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.168 0.508 . . . . 0.0 109.81 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 5.7 mptp? -82.05 -36.71 27.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.975 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.23 -45.01 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.552 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -62.02 -18.14 59.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.084 0.469 . . . . 0.0 111.926 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 45.2 mttp -78.68 -22.97 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -86.45 -20.23 28.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.15 96.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.0 tttt -68.78 80.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.251 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.3 t-20 167.52 -50.68 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.908 0.755 . . . . 0.0 111.923 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.406 ' HG3' ' HD1' ' A' ' 56' ' ' TRP . 18.1 mmt180 -84.67 139.21 32.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.074 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.471 ' O ' HG13 ' A' ' 90' ' ' ILE . 4.4 p -109.65 176.66 4.99 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.231 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -71.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 2.8 t30 -54.87 -24.53 23.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.37 -51.69 10.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.508 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 86' ' ' SER . 62.7 mt -67.3 -44.82 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 O-C-N 123.02 0.2 . . . . 0.0 111.419 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HE ' ' HB2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.0 -39.27 81.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.742 0.306 . . . . 0.0 111.102 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -70.41 -45.49 65.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.074 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -64.09 -42.34 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.025 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.84 -45.43 90.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.495 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.69 -37.03 85.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.71 -50.27 31.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 tp -67.83 -32.68 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.08 75.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.911 0.386 . . . . 0.0 110.386 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -68.26 -28.29 67.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.32 -35.53 23.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.484 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 3.8 tpm_? -74.84 -28.75 60.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.54 0.42 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.261 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.5 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 27.7 mmtp 55.72 -157.78 0.23 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.5 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 3.2 p80 -161.5 102.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.084 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.8 147.97 52.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -150.45 -57.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 179.807 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.28 7.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.539 0.209 . . . . 0.0 111.493 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.2 mttt 64.93 173.98 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.42 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.837 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 65.43 173.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.957 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.837 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 8.9 t 176.89 165.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.02 -34.86 75.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -59.38 -44.28 92.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.235 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -29.13 67.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.572 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.25 -45.42 94.6 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 109.178 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.67 -41.71 92.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -64.47 -40.43 95.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.439 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.95 -48.99 72.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.09 -45.19 50.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.066 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG23 ' A' ' 27' ' ' ILE . 8.3 mp -64.57 -46.33 83.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.534 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.96 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-O 121.322 0.582 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.45 -35.63 73.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.138 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -77.35 -50.47 12.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.479 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -84.57 -42.97 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.02 -175.85 16.16 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.76 35.43 2.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -134.76 -50.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.73 84.68 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 0.0 112.3 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CZ2' ' HB2' ' A' ' 40' ' ' ARG . 25.8 m95 -83.85 -9.96 58.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.103 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.94 -43.39 97.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.318 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -26.25 67.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.406 HG23 HD23 ' A' ' 15' ' ' LEU . 61.2 mt -82.84 -33.6 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -65.55 -13.72 59.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.814 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -64.65 -33.5 76.08 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.37 -44.43 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -92.81 87.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.906 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -94.89 -26.29 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.498 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.4 16.83 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.601 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -132.64 134.66 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.125 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HB3' ' HB2' ' A' ' 38' ' ' GLN . 1.3 t-20 -57.01 126.05 71.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.83 -42.59 56.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.741 2.294 . . . . 0.0 112.11 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 2.1 mp0 -74.06 -25.78 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 m -65.27 -29.66 70.46 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -78.95 -34.34 44.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.562 178.401 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.48 -43.41 93.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.391 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -44.25 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.5 -51.63 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -66.41 -20.57 66.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -107.81 -10.83 15.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -129.18 -41.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mt -93.13 -27.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.847 0.356 . . . . 0.0 111.561 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.2 t30 -79.54 -55.57 0.86 Allowed Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 47.5 Cg_endo -98.01 -179.72 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.482 2.121 . . . . 0.0 111.509 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.88 72.72 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.57 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 51' ' ' LEU . 2.5 pt? -67.17 91.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.432 0.634 . . . . 0.0 112.254 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -160.28 -149.92 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p 37.92 47.39 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 3.6 m-20 66.97 168.48 0.11 Allowed Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 60.0 Cg_endo -74.11 -149.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.024 1.816 . . . . 0.0 111.335 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.03 167.3 12.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.589 0.233 . . . . 0.0 110.416 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -90.22 166.22 20.83 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.52 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 49.7 Cg_exo -58.54 -16.41 29.71 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.652 2.235 . . . . 0.0 112.41 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.95 -43.17 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 15.3 mp0 -73.16 -35.81 66.52 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.002 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 7.2 t70 -60.5 -43.45 97.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.082 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.8 mtt -76.88 -32.21 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.058 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.15 -33.33 38.55 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 78' ' ' ILE . 1.5 mt -61.06 -41.87 97.42 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.85 -37.32 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.439 0.462 . . . . 0.0 111.223 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -70.92 -53.37 15.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -64.46 -30.73 71.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.126 0.489 . . . . 0.0 111.474 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -72.94 -29.6 63.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.61 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.08 -9.68 52.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.392 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -101.04 -50.97 3.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -87.56 -34.19 18.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.87 -171.66 18.24 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.18 63.03 6.92 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.562 2.174 . . . . 0.0 111.298 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -118.17 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 24.5 m95 -48.74 -26.0 2.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.633 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -54.15 -40.63 67.6 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.254 0.55 . . . . 0.0 109.853 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.69 -35.88 19.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.897 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.563 HG21 HD21 ' A' ' 64' ' ' LEU . 47.4 mm -60.75 -43.1 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -63.82 -15.63 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.14 0.495 . . . . 0.0 111.714 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.59 -31.3 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -84.71 -25.64 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.445 . . . . 0.0 109.805 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -111.85 88.55 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.6 tttt -69.37 82.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.985 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 6.8 t-20 -179.47 -40.88 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -110.61 151.76 27.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.148 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.491 ' O ' HG13 ' A' ' 90' ' ' ILE . 7.9 p -107.46 174.95 5.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.045 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.02 -87.25 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -23.45 28.78 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -67.86 -49.91 59.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 86' ' ' SER . 69.1 mt -67.95 -37.99 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.458 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -55.84 -52.81 62.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.859 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.47 -44.44 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 1.2 mpp_? -64.15 -44.66 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.789 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -58.58 -44.15 89.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.064 0.459 . . . . 0.0 110.612 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.8 ttt -67.74 -40.66 84.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -67.09 -45.6 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.29 -41.71 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.506 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.3 72.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 99' ' ' ARG . 3.3 ttp85 -64.82 -29.8 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.976 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.09 -26.89 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.99 -32.1 45.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.54 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.4 -8.19 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.913 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp 59.92 -159.95 0.3 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 112.175 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -160.84 115.89 2.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.446 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -83.55 153.74 24.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -158.31 -74.99 0.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.483 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.541 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.36 -13.44 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 66.92 161.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.194 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' O ' ' HB ' ' A' ' 5' ' ' THR . 4.4 t80 65.85 175.12 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.959 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 10.6 t 172.83 178.67 0.09 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.948 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.36 -42.66 99.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.442 0.463 . . . . 0.0 111.519 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -53.48 -48.81 68.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.794 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -31.17 67.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.878 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.78 -48.59 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.227 0.537 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.91 -37.39 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.428 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.93 -35.81 82.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.586 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 16.4 tp -56.44 -48.93 75.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.54 -37.01 69.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.478 . . . . 0.0 110.805 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.679 HD23 HG23 ' A' ' 27' ' ' ILE . 6.1 mp -69.22 -42.97 75.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.469 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.24 -31.04 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 0.0 110.117 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.9 ttt -71.26 -34.39 70.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -84.49 -46.08 11.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -94.6 -18.63 21.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.48 -160.46 21.21 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.626 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.91 30.6 7.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.05 0.453 . . . . 0.0 110.503 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -131.55 -48.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.181 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.65 66.01 4.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.284 0.564 . . . . 0.0 111.5 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' NE1' ' HD3' ' A' ' 40' ' ' ARG . 90.5 m95 -77.9 -13.39 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 8.0 mt -65.68 -38.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.251 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -25.53 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.451 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.679 HG23 HD23 ' A' ' 15' ' ' LEU . 80.1 mt -84.54 -22.76 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -79.3 1.02 26.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -74.93 -51.6 13.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.32 -30.23 60.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.46 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 mtt -108.73 92.36 4.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.645 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 tt -92.85 -33.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.103 0.478 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.36 20.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.89 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -134.03 131.21 38.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.93 126.92 82.52 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.27 -40.94 68.77 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.652 2.235 . . . . 0.0 111.895 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -68.72 -24.85 64.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.994 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.1 -28.9 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.65 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 m -66.49 -37.82 85.93 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HD3' ' NE1' ' A' ' 24' ' ' TRP . 13.1 ttp180 -67.79 -38.55 83.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.691 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 3.6 tt0 -66.33 -23.25 66.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.125 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.86 -61.3 2.02 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.491 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 2.8 t-105 -57.32 -44.94 84.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 51.3 t30 -65.86 -28.14 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 22.9 m-80 -109.44 2.94 20.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -126.86 -52.41 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -100.74 -12.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.562 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 64.3 t30 -79.83 -56.97 0.72 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 63.3 Cg_endo -94.46 -175.4 0.4 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.04 59.88 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 pt? -64.18 70.85 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.737 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -147.56 -148.1 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 38.92 55.39 2.04 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 60.8 m-20 65.04 169.78 0.1 Allowed Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.926 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.696 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 62.9 Cg_endo -74.49 -157.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.182 1.921 . . . . 0.0 111.637 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -81.43 163.09 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.552 -179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.46 166.2 31.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.604 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.43 -25.98 68.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.794 2.33 . . . . 0.0 111.075 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.05 -38.77 89.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -69.08 -39.15 79.21 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.437 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.73 -43.79 85.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.275 0.559 . . . . 0.0 110.575 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.0 mtt -72.89 -42.76 63.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.914 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.1 tp -70.9 -42.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 6.3 mt -59.3 -39.8 84.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.08 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.97 -37.77 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.085 0.469 . . . . 0.0 110.384 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 35.5 tt0 -74.85 -50.13 18.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.369 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.79 -31.39 71.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -76.38 -30.23 57.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.228 0.537 . . . . 0.0 109.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.71 -8.25 59.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.272 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 46.4 mm-40 -108.01 -51.31 2.92 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -89.48 -30.15 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.722 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.04 -141.97 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -88.27 25.96 0.61 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.817 2.345 . . . . 0.0 111.621 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -77.7 56.94 1.56 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.529 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.735 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 47.8 m95 -55.39 -22.6 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.889 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -60.89 -39.61 89.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 1.8 mptp? -85.54 -32.58 22.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.752 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.735 ' HB ' ' HA ' ' A' ' 75' ' ' TRP . 25.0 mm -60.53 -42.85 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.302 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -64.39 -14.44 56.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.021 0.439 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.651 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 32.3 mttp -83.57 -26.03 30.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.421 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -85.88 -22.99 27.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.37 0.605 . . . . 0.0 109.368 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.83 76.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 83.6 tttt -58.69 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.964 -1.017 . . . . 0.0 112.14 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 64.5 t30 172.36 -44.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.768 0.668 . . . . 0.0 111.724 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -103.05 151.28 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -109.98 175.96 5.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.714 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 3.8 t30 -55.63 -20.87 15.26 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -83.41 -45.31 13.83 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.316 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.58 -49.36 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HD3' ' NE1' ' A' ' 75' ' ' TRP . 3.8 tpt85 -57.37 -38.61 74.47 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.998 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 16.0 t-20 -64.2 -53.75 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.24 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HA ' ' HB3' ' A' ' 96' ' ' MET . 1.4 tpp180 -68.12 -30.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.557 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.509 ' HZ3' ' HB3' ' A' ' 64' ' ' LEU . 69.3 t-105 -59.23 -48.53 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.6 ttt -73.64 -37.37 65.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.394 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.432 ' HB3' ' HA ' ' A' ' 93' ' ' ARG . 1.7 tmt? -62.52 -47.79 82.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.493 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.53 -24.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.085 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.56 -32.79 73.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.975 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -64.81 -25.53 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -90.7 -34.89 15.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -66.89 -35.63 80.44 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.133 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.15 -0.12 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.956 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 51.42 -145.93 0.49 Allowed 'General case' 0 CA--C 1.529 0.165 0 O-C-N 123.569 0.543 . . . . 0.0 111.996 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -166.3 142.1 4.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.75 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -116.11 152.06 34.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -148.24 -64.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.255 179.81 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.57 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.566 0.222 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 m -84.49 3.1 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 111.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 62.39 172.11 0.13 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.805 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.67 -171.8 0.15 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.347 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.902 HG22 ' HG2' ' A' ' 8' ' ' GLU . 11.2 t 172.96 179.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.82 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 111.584 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.98 -35.16 79.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.329 . . . . 0.0 111.307 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.902 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.7 mm-40 -76.81 -28.6 55.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.47 -45.55 88.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.063 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.49 -36.14 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.558 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -66.36 -34.54 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 37.2 tp -59.54 -49.63 77.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.29 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -55.72 -39.78 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.826 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.06 -45.67 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.51 -41.79 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 12' ' ' LEU . 76.0 t -64.76 -31.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.219 0.533 . . . . 0.0 110.344 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.42 -37.27 71.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -85.36 -42.5 14.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.01 -41.44 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.89 -160.57 14.02 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 24.73 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 111.074 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -126.54 -47.26 1.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.387 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.78 62.79 4.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.168 0.509 . . . . 0.0 111.708 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -73.4 -16.61 61.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 12.2 mt -60.44 -40.99 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.023 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -34.25 73.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.707 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG23 HD23 ' A' ' 15' ' ' LEU . 64.1 mt -78.77 -30.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.857 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -67.65 -16.73 64.3 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.356 0.598 . . . . 0.0 110.782 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -75.17 -23.47 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.621 0.724 . . . . 0.0 109.784 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.2 mt -95.15 -47.0 6.55 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.6 mtt -99.54 90.45 4.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -100.15 -13.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.426 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.7 8.93 34.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.653 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.587 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 8.3 ttm105 -134.03 143.18 47.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.836 -0.165 . . . . 0.0 110.947 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.962 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 46.4 t-20 -61.3 120.9 59.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.25 -40.98 22.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.71 2.94 . . . . 0.0 113.472 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.2 -20.21 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 7.9 mm100 -73.63 -30.13 62.78 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.183 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.87 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -74.52 -43.89 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.802 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -64.99 -24.88 67.64 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.959 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HG2' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.77 -56.56 4.5 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.275 179.462 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -40.36 77.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.193 0.52 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -66.38 -20.96 66.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.483 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' HD21 ' A' ' 51' ' ' LEU . 50.1 m-80 -121.03 7.65 10.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -122.5 -52.83 1.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.214 0.916 . . . . 0.0 112.927 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.0 -4.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.532 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 9.2 t30 -88.03 -55.12 0.34 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 49.9 Cg_endo -97.32 -176.45 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.442 2.095 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.3 62.35 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -73.44 78.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.3 0.572 . . . . 0.0 112.386 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.4 OUTLIER -148.25 -153.58 0.5 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.763 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.46 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 1.6 m 37.02 54.54 1.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -178.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER 67.93 163.76 0.13 Allowed Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.345 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.7 Cg_endo -71.98 -152.08 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.359 2.039 . . . . 0.0 112.245 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.84 165.63 13.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.538 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.57 163.64 38.06 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.128 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.9 Cg_exo -56.73 -18.71 27.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.048 2.498 . . . . 0.0 112.981 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.49 -43.52 72.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.28 -34.58 72.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.836 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.5 OUTLIER -58.29 -44.05 88.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.04 -37.28 64.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.761 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.63 -38.54 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.085 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.619 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.3 tt -60.73 -44.55 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.64 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.483 ' HB2' ' HH2' ' A' ' 94' ' ' TRP . 36.2 t70 -58.99 -35.92 74.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.203 0.525 . . . . 0.0 110.541 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.15 -49.98 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.48 -25.18 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -75.44 -23.62 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.732 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.71 -5.8 53.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -110.3 -46.58 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.325 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -92.2 -36.25 13.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.272 0.558 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.8 -160.61 15.36 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.7 35.2 0.56 Allowed 'Trans proline' 0 CA--C 1.527 0.129 0 C-N-CA 122.821 2.347 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -83.26 63.64 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.619 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 43.1 m95 -47.94 -35.42 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -61.12 -29.92 70.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.274 0.559 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -87.72 -36.39 17.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.302 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.57 -39.53 84.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 p -64.59 -16.21 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.139 0.495 . . . . 0.0 111.618 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 37.1 mttp -80.32 -21.33 42.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.112 0.482 . . . . 0.0 110.485 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.72 -16.89 23.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.354 0.597 . . . . 0.0 109.564 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -117.56 90.74 3.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.456 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 68.6 tttt -71.85 75.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.464 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 7.1 t-20 177.17 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 3.7 mmt180 -95.25 141.47 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 5.2 p -105.63 176.94 5.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -72.38 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.83 -24.08 34.34 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -79.65 -50.02 11.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 86' ' ' SER . 81.5 mt -62.79 -42.36 95.99 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -60.08 -48.24 82.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.44 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.91 -46.65 88.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -47.84 76.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.483 ' HH2' ' HB2' ' A' ' 65' ' ' ASP . 73.9 t-105 -60.79 -41.98 96.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.193 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 10.9 ttt -67.8 -34.93 77.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -78.08 -49.25 14.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.858 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 97' ' ' ILE . 7.9 tp -63.91 -29.2 46.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.79 70.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -73.83 -23.26 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.776 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -90.29 -31.17 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -69.54 -39.63 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.198 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.43 4.98 13.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 51.77 -150.76 0.29 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -162.1 101.98 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.718 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -58.21 149.24 24.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -154.76 -52.77 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.985 0.422 . . . . 0.0 109.956 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 179.797 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.32 10.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 mttt 60.38 -176.35 0.11 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.508 0.505 . . . . 0.0 110.876 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.555 ' O ' ' HB ' ' A' ' 5' ' ' THR . 6.3 t80 62.87 168.3 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.696 HG22 ' HG2' ' A' ' 8' ' ' GLU . 9.5 t 169.01 170.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.195 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.48 -39.04 78.88 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.348 0.405 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.2 mt-10 -59.34 -22.46 61.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.626 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 5' ' ' THR . 14.4 mm-40 -87.51 -33.77 18.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.14 -45.38 83.61 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.467 0.651 . . . . 0.0 109.452 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.92 -42.09 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.739 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 46.7 mttp -63.3 -41.35 98.96 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.65 -52.56 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.522 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -52.77 -38.61 61.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.484 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.45 -46.48 26.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 27' ' ' ILE . 7.7 mp -64.27 -48.56 75.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.53 -33.44 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 110.669 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 ttt -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -87.52 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 23.9 m-85 -89.97 -44.92 9.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.17 -165.07 15.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.027 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.36 25.83 9.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.779 0.323 . . . . 0.0 111.838 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -141.3 -31.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 37.1 t0 -80.38 49.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.482 . . . . 0.0 111.923 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -69.88 -19.84 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.277 0.56 . . . . 0.0 109.985 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.7 pt -67.0 -31.02 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.155 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -64.92 -31.52 72.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 HD23 ' A' ' 15' ' ' LEU . 54.8 mt -76.72 -27.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.411 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' MET . 3.3 m -66.76 -14.01 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.615 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.31 -36.43 81.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.355 0.598 . . . . 0.0 109.646 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 mt -93.08 -50.98 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' SER . 50.1 mtt -98.08 93.26 6.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -104.25 -9.97 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.0 110.641 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.51 18.93 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 34.5 ttm180 -145.67 147.83 32.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 1.069 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 97.9 m-20 -63.06 136.39 96.66 Favored Pre-proline 0 C--O 1.236 0.365 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.37 -38.44 82.5 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.516 2.144 . . . . 0.0 111.578 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -70.25 -22.35 62.9 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 1.069 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 8.2 mm100 -69.92 -34.24 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.011 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 22.8 m -67.23 -34.24 77.05 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 54.7 ttt180 -70.5 -37.84 74.22 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.552 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.5 tt0 -65.17 -28.06 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.735 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 1.7 mmp_? -72.5 -58.84 3.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 6.1 t-105 -56.1 -50.16 71.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 m-20 -63.33 -26.22 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 24.2 m-80 -114.29 15.07 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -140.4 -52.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.23 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.556 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -102.59 -17.08 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -177.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.698 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.5 t-20 -77.48 -57.46 1.05 Allowed Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 48.8 Cg_endo -97.27 -171.68 0.16 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.466 2.111 . . . . 0.0 112.192 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.83 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.534 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.91 73.11 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.94 179.128 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 35.2 mtp180 -140.01 -154.12 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.94 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 33.03 52.67 0.34 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 72.84 153.4 0.15 Allowed Pre-proline 0 N--CA 1.474 0.773 0 O-C-N 123.438 0.461 . . . . 0.0 111.696 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' TRP . 67.7 Cg_endo -74.77 -144.45 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.538 2.159 . . . . 0.0 112.369 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.483 ' H ' ' HB2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -92.09 158.32 16.27 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.278 -0.264 . . . . 0.0 110.623 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.88 169.28 12.03 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.634 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.6 Cg_exo -57.55 -16.6 24.59 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.974 2.449 . . . . 0.0 113.099 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.42 -44.2 68.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -74.15 -33.67 63.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.84 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.918 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -71.67 -35.99 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.24 -42.87 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.019 0.438 . . . . 0.0 110.372 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 6.8 tt -61.71 -39.9 93.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.69 -39.84 68.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.06 -50.82 29.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.32 -22.51 66.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.689 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -73.41 -24.7 60.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.22 0.533 . . . . 0.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.62 2.23 44.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.172 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -112.23 -53.97 2.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.692 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -93.78 -32.77 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.221 0.534 . . . . 0.0 109.671 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.36 -162.09 16.96 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.21 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.46 37.88 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.762 2.308 . . . . 0.0 111.807 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -89.32 62.29 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.171 0.51 . . . . 0.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.629 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 24.6 m95 -48.9 -28.25 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.803 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.33 -40.5 68.06 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.132 0.491 . . . . 0.0 109.75 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -83.41 -36.57 24.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.799 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.72 -43.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -66.41 -22.08 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.268 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -81.41 -29.78 33.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.45 -58.02 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.7 92.3 6.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.48 92.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.069 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.72 -72.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -103.58 167.88 9.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.058 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 p -107.02 -178.84 3.76 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.374 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -46.36 -84.13 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -29.04 28.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.58 -46.86 65.38 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.178 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.86 -42.74 86.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 tpt180 -56.9 -48.61 77.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.56 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.56 -47.06 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.254 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.0 tpp180 -64.51 -39.9 94.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.721 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -61.2 -47.4 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 0.0 110.47 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 ttt -65.58 -31.7 72.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.491 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 ttt -74.26 -50.09 20.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.049 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 tp -69.86 -30.69 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.09 91.23 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.805 0.336 . . . . 0.0 110.426 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -65.25 -26.37 68.07 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.362 0.601 . . . . 0.0 110.48 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -85.71 -32.78 21.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.763 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -72.73 -36.72 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.61 1.33 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.29 -143.36 0.73 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.809 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -164.49 125.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -80.95 147.26 30.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -164.64 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.099 0.476 . . . . 0.0 110.458 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.6 tttp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.636 0.255 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -67.7 -12.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 71.98 139.12 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.538 0.524 . . . . 0.0 111.436 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 63.62 -170.61 0.18 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.357 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.6 t 176.37 176.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.402 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 30.5 mt-10 -60.34 -42.26 95.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.36 0.413 . . . . 0.0 111.903 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.7 -41.01 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.793 ' HG2' HG22 ' A' ' 5' ' ' THR . 18.1 mm-40 -68.88 -33.28 73.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.231 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.8 -39.39 94.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.254 0.55 . . . . 0.0 109.876 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 58.0 mt -63.83 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.09 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.18 -29.59 64.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.618 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 42' ' ' ARG . 23.3 tp -56.72 -49.23 75.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.623 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -58.97 -32.01 69.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 0.0 110.513 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 84.2 mm-40 -74.8 -43.78 52.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.275 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 30' ' ' LEU . 5.9 mp -66.35 -43.81 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.747 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.58 -39.61 76.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.857 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -56.91 -28.71 62.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.883 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 14' ' ' GLN . 5.3 mtp180 -101.69 -25.9 13.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.25 -32.79 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.34 -136.97 13.2 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.943 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.57 21.55 3.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -130.78 -43.3 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.828 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.08 64.77 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HE3' HD12 ' A' ' 27' ' ' ILE . 73.4 m95 -81.68 -8.25 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.133 0.492 . . . . 0.0 109.895 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.5 mt -73.81 -29.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.966 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -26.5 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.841 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.442 HG12 HD23 ' A' ' 15' ' ' LEU . 63.1 mt -77.43 -36.94 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' MET . 7.3 m -59.2 -18.15 34.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.188 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -68.33 -30.47 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.236 0.541 . . . . 0.0 109.846 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 15' ' ' LEU . 65.1 mt -89.37 -48.4 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 28' ' ' SER . 3.3 ttm -112.75 101.51 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 tt -104.63 -4.8 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 0.0 111.278 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.49 13.79 14.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.84 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 12.6 ptm85 -138.72 153.39 48.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.347 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.991 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 38.7 t-20 -64.76 123.97 84.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.832 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.72 -44.53 40.27 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.419 2.746 . . . . 0.0 113.04 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -65.43 -25.16 67.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.697 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.991 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 8.9 mm100 -69.1 -20.01 64.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.496 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.09 -33.26 65.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -72.09 -45.39 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.32 -24.63 66.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.09 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 12' ' ' LEU . 2.3 tpm_? -71.27 -62.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.836 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.89 -38.65 89.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.055 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 54.3 t30 -66.57 -22.41 66.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -113.95 11.78 17.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -142.93 -42.29 0.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' HB ' ' HE3' ' A' ' 43' ' ' TRP . 2.1 mt -101.18 -15.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.096 0.474 . . . . 0.0 111.72 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.717 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 62.1 t30 -87.77 -59.3 0.26 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 62.6 Cg_endo -92.6 178.67 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.356 2.038 . . . . 0.0 111.474 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.14 93.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.55 76.12 2.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.275 0.559 . . . . 0.0 111.188 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -127.67 -36.39 2.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 47.65 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.778 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 41.7 m-20 60.04 174.86 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.888 0.475 . . . . 0.0 111.777 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 70.6 Cg_endo -75.21 177.21 8.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.915 1.744 . . . . 0.0 110.601 177.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.56 151.54 16.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 178.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.41 166.87 37.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.306 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -54.85 -22.87 31.53 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.86 2.373 . . . . 0.0 112.705 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.58 -41.29 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.869 ' HG2' HD11 ' A' ' 82' ' ' LEU . 2.1 mp0 -74.05 -32.99 63.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.689 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.1 -43.97 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.267 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 69.6 mtm -69.2 -39.08 78.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.9 -42.34 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.595 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.9 tt -61.2 -40.03 92.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.954 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.25 -39.76 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.93 -43.17 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.05 -23.76 62.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.759 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -75.08 -31.59 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.531 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -40.65 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -89.79 -122.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -10.98 -60.44 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.73 -157.4 15.1 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.61 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.25 37.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.205 2.604 . . . . 0.0 112.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -82.21 62.62 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 6.5 m95 -45.42 -38.45 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.43 -17.09 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.375 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -100.72 -41.33 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.51 -24.88 33.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -66.39 -10.9 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.577 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 4.7 mptt -77.66 -28.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -86.29 -22.86 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.071 0.463 . . . . 0.0 110.022 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.869 HD11 ' HG2' ' A' ' 60' ' ' GLU . 1.4 mm? -110.55 83.14 1.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.724 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -64.79 86.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 154.94 -37.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.723 1.264 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -83.04 125.56 31.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.583 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 90' ' ' ILE . 10.7 p -103.13 173.3 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -70.54 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.65 -25.43 64.69 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 8.1 t30 -70.0 -51.29 33.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.546 0.212 . . . . 0.0 110.796 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 86' ' ' SER . 52.1 mt -68.79 -37.48 77.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.71 -52.53 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.447 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.45 -38.81 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -64.51 -40.28 95.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.678 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -59.35 -45.26 91.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.683 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 45.0 ttm -67.53 -39.74 85.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -49.79 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.825 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 97' ' ' ILE . 5.5 tp -66.07 -33.32 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.843 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.47 87.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.33 -28.5 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.113 0.483 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -88.92 -20.51 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.264 0.554 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.1 tpm_? -86.41 -33.63 20.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.369 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -1.72 13.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.181 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 59.92 -163.32 0.24 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.969 0.414 . . . . 0.0 111.499 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -155.38 104.94 2.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.784 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.65 154.07 38.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.507 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -163.4 -54.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.165 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.388 179.419 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.62 0.247 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.0 -4.56 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt 65.73 172.45 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.619 0.574 . . . . 0.0 112.259 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.555 ' O ' ' HB ' ' A' ' 5' ' ' THR . 1.7 t80 63.19 178.47 0.15 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.771 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.893 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.2 t 167.73 171.77 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.33 -44.14 97.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.22 -40.93 71.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.201 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' A' ' 5' ' ' THR . 17.9 mm-40 -70.2 -31.1 68.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.549 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 42' ' ' ARG . 13.4 t70 -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.306 0.574 . . . . 0.0 110.367 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.2 -41.69 98.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.301 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -66.95 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.314 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.0 tp -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -55.98 -42.47 76.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.939 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -68.25 -45.38 73.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.66 ' HG ' ' HE2' ' A' ' 19' ' ' TYR . 8.4 mp -65.23 -42.23 93.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.04 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.8 -32.36 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.323 0.582 . . . . 0.0 110.168 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.1 ttt -69.64 -36.38 76.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.453 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -83.42 -48.65 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.66 ' HE2' ' HG ' ' A' ' 15' ' ' LEU . 93.3 m-85 -84.62 -35.14 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.85 -161.88 12.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.856 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.01 24.5 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.974 0.416 . . . . 0.0 111.244 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -136.49 -34.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.645 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -84.35 53.04 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.171 0.51 . . . . 0.0 111.993 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -69.43 -23.25 63.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.722 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.1 pt -65.9 -35.17 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -23.93 65.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.279 0.561 . . . . 0.0 109.966 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 82.3 mt -82.11 -28.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -68.75 -6.87 29.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.18 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -73.23 -26.92 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.35 -36.09 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.0 mtt -101.62 83.83 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -94.73 -15.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.919 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.99 24.54 5.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 35.3 ttm105 -143.98 142.74 30.88 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.217 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.757 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -62.73 132.63 94.73 Favored Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.41 -36.76 70.64 Favored 'Trans proline' 0 N--CA 1.473 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 111.509 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -75.4 -18.57 59.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.05 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.757 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.88 -38.17 76.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 43.2 m -64.1 -36.69 84.85 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -67.73 -42.59 81.66 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.648 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.01 -29.78 70.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 9' ' ' ASP . 5.7 mmm180 -71.22 -57.62 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.312 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -58.7 -49.08 78.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -62.43 -20.84 64.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.371 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.5 23.73 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.656 ' HA ' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -156.47 -45.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -26.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 6.1 t30 -76.42 -57.44 1.33 Allowed Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 64.4 Cg_endo -94.6 -173.4 0.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.154 1.903 . . . . 0.0 111.949 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.14 58.53 0.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -67.3 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.757 . . . . 0.0 112.361 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -147.07 -145.88 0.18 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 41.65 48.4 3.58 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 6.8 m-20 64.35 171.83 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.653 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.6 Cg_endo -72.18 -159.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.032 1.822 . . . . 0.0 112.08 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -83.73 166.25 18.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.18 164.5 21.23 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.1 Cg_exo -57.12 -17.62 25.93 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.57 -41.68 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -74.52 -39.2 62.53 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.4 t70 -54.99 -42.05 72.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.2 mtt -77.78 -42.04 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.163 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.5 -44.53 64.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.59 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.748 HD21 HG21 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -58.96 -39.91 83.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.746 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.63 -35.74 61.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 3.4 tt0 -77.79 -50.73 11.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.43 -27.02 68.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -76.47 -24.54 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.575 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.29 -5.43 58.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 54.6 mm-40 -105.0 -53.85 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -88.24 -29.4 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.638 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.69 -158.37 17.15 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.96 32.89 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.965 2.444 . . . . 0.0 111.733 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -82.67 61.12 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.422 ' HZ3' ' CD2' ' A' ' 64' ' ' LEU . 36.9 m95 -52.06 -31.07 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.537 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -78.81 -34.03 45.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.748 HG21 HD21 ' A' ' 64' ' ' LEU . 41.8 mm -71.14 -38.41 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.107 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -61.11 -14.97 28.12 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -74.61 -17.85 60.65 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -100.36 -13.47 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.158 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -121.27 83.1 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 69.2 tttt -67.51 83.71 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.933 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 23.0 t-20 166.64 -39.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.954 0.784 . . . . 0.0 111.136 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 56' ' ' TRP . 22.2 mmt180 -97.77 135.52 39.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.374 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 p -105.57 174.74 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -55.24 -26.41 39.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.51 -52.26 16.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.39 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.17 -44.15 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -57.24 -49.11 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -48.57 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 12.5 tpp180 -68.79 -38.47 80.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.415 ' HA ' HG22 ' A' ' 97' ' ' ILE . 68.3 t-105 -62.33 -45.28 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.987 0.423 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.3 ttt -65.35 -23.56 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.722 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -49.06 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.381 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.421 HG21 ' HZ3' ' A' ' 56' ' ' TRP . 10.0 tp -65.41 -33.19 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.51 -33.37 72.52 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.009 0.433 . . . . 0.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -67.47 -23.98 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.645 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -89.01 -40.47 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.972 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -68.58 -34.15 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.737 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.25 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.451 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 49.66 -147.38 0.33 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.32 110.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -71.75 160.18 33.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -152.34 -64.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.434 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.17 179.706 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.57 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.588 0.232 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.85 0.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.597 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 41.6 mttt 63.43 175.32 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.025 ' HE2' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER 60.39 176.79 0.09 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.006 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 5.6 t 170.27 171.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 37.5 mt-10 -62.5 -43.52 98.62 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.682 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -33.15 61.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.412 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.544 ' CG ' HH21 ' A' ' 42' ' ' ARG . 23.8 t70 -64.21 -39.19 93.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 86.8 mt -64.93 -35.26 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.007 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.82 -31.93 71.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.203 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.9 tp -55.74 -48.76 74.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -54.94 -38.81 68.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.076 0.465 . . . . 0.0 111.191 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.3 -43.02 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.632 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.19 -44.46 91.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.573 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 12' ' ' LEU . 97.9 t -62.43 -39.57 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.141 0.496 . . . . 0.0 110.21 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -65.31 -38.03 88.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.535 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -84.79 -45.01 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CE2' ' HG ' ' A' ' 15' ' ' LEU . 20.9 m-85 -85.13 -34.75 22.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 -164.58 12.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.83 24.08 12.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.413 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 -32.87 0.4 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.768 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -79.43 50.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 0.0 110.564 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -69.04 -15.55 63.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.443 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.3 pt -66.35 -28.04 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -40.31 94.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.594 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 75.4 mt -74.08 -30.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.484 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.6 m -68.12 -9.37 45.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.298 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -84.12 -23.11 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.409 0.623 . . . . 0.0 109.411 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 mt -95.93 -32.03 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.1 mtt -128.54 103.61 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -105.81 -13.89 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 111.634 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.95 15.55 1.78 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.119 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.587 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 25.9 ttm105 -141.81 148.24 38.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.891 0.377 . . . . 0.0 111.883 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 2.6 t-20 -63.18 122.26 74.33 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.55 -38.91 28.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.154 2.569 . . . . 0.0 113.252 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.599 ' HD3' " C2'" ' C' ' 21' ' ' ' DT' . 0.2 OUTLIER -67.1 -24.14 65.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.015 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' OE1' ' HB3' ' A' ' 35' ' ' ASN . 3.8 mp0 -74.32 -28.41 61.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.706 0.289 . . . . 0.0 111.274 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 21.5 m -65.41 -34.88 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -33.92 60.62 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.133 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -58.75 -40.62 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.649 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 1.025 ' HG3' ' HE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.02 -47.86 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.82 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' HE3' HD12 ' A' ' 47' ' ' ILE . 2.0 t-105 -56.46 -47.13 79.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.227 0.537 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -68.94 -26.17 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.111 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 37.6 m-80 -107.24 10.4 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -141.78 -50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.474 HD12 ' HE3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -98.98 -16.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 112.159 -177.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.647 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 50.6 t30 -79.97 -53.72 0.94 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.085 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 35.1 Cg_endo -100.77 -165.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.671 2.248 . . . . 0.0 112.762 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.79 60.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.238 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.544 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -75.07 79.89 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.133 0.492 . . . . 0.0 111.785 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB3' ' H ' ' A' ' 53' ' ' THR . 68.6 mtp180 -145.58 -156.17 0.68 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.044 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 1.9 m 37.34 57.4 1.33 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.024 0.828 . . . . 0.0 112.608 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 71.12 162.79 0.15 Allowed Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.081 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -72.13 -148.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.515 2.144 . . . . 0.0 111.74 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HH2' ' HA ' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -83.63 163.05 20.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.146 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.14 163.03 41.73 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.233 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 65.1 Cg_exo -54.42 -23.89 33.09 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.918 2.412 . . . . 0.0 112.255 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.63 -38.8 87.69 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.46 -36.54 52.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.59 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.1 t70 -56.5 -46.15 80.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mtt -80.81 -15.6 55.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.943 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -85.05 -42.31 14.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.23 -20.76 64.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.314 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.21 -44.31 95.25 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -84.74 -38.5 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.566 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -80.53 57.94 3.04 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -171.72 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.008 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -2.3 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.913 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -107.67 -32.24 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.3 m-85 -125.69 48.19 2.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.205 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 34.58 -138.65 0.19 Allowed Glycine 0 CA--C 1.523 0.576 0 O-C-N 124.226 0.954 . . . . 0.0 114.415 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -93.02 36.46 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 12.7 mptt -78.52 55.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.23 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -50.91 -31.28 17.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -56.29 -38.2 70.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.333 0.587 . . . . 0.0 110.262 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 54.0 mmtt -84.2 -31.48 25.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.775 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 74' ' ' LYS . 26.7 mm -68.89 -36.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.633 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -64.33 -16.19 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 42.7 mttp -81.14 -24.62 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.99 -21.36 26.21 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.01 77.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.14 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.35 87.44 0.01 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.009 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 177.33 -37.35 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -116.3 156.54 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.159 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 1.8 m -113.34 178.04 4.42 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -78.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -11.26 2.26 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' HB2' HD22 ' A' ' 51' ' ' LEU . 16.3 t-20 -90.04 -46.31 8.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.794 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 86' ' ' SER . 77.8 mt -69.77 -45.93 75.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.425 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -56.73 -47.14 80.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -60.66 -48.22 82.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.264 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.496 HH12 " H3'" ' B' ' 5' ' ' ' DT' . 1.4 mpp_? -68.28 -32.36 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.443 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 73.4 t-105 -64.07 -47.09 81.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.32 -33.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.33 -51.19 55.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.952 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.9 tp -66.96 -31.0 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.511 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.41 71.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.743 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -65.23 -27.47 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.467 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -94.66 -35.98 11.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.478 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -66.18 -38.87 89.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.299 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 0.87 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 63.64 -168.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -146.57 100.62 3.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.402 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -71.08 145.9 49.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -158.2 -60.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.738 179.781 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.635 0 C2'-C3'-O3' 113.255 0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.495 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C2'-C3'-O3' 113.391 1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.495 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.158 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.173 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.509 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.098 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.343 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.561 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 104.971 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.597 H5'' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.511 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.587 ' OP2' ' HA ' ' A' ' 34' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 104.625 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 104.261 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.51 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.37 1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.51 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.839 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.5 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' B' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C2'-C3'-O3' 113.772 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.501 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.205 1.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.475 ' H6 ' " O5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.438 0.57 0 O4'-C1'-C2' 107.053 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 114.014 1.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.462 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.619 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.356 1.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.619 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.442 0.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.495 H2'' ' OP2' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.649 1.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.495 ' OP2' H2'' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.418 1.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.597 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.597 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C2'-C3'-O3' 114.333 1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.544 " C2'" ' H72' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 104.58 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.544 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 113.574 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 104.135 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-N19 108.581 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.447 H2'' ' OP2' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.281 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.23 1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.527 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.628 0.252 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.2 m -78.02 -5.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.234 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt 60.53 -176.04 0.11 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.548 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.673 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 1.6 t80 61.88 175.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.072 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.792 HG22 ' HG2' ' A' ' 8' ' ' GLU . 14.9 t 171.17 178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.324 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -58.51 -38.64 78.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.466 0.479 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.86 -41.1 97.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.792 ' HG2' HG22 ' A' ' 5' ' ' THR . 7.1 mm-40 -66.41 -36.43 82.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.69 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.69 -45.08 95.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.31 -39.5 93.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.262 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.38 -38.1 86.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 30.2 tp -58.82 -51.72 68.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -54.54 -33.87 60.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -81.79 -42.01 20.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.714 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 30' ' ' LEU . 5.3 mp -66.3 -42.1 88.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.553 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -33.56 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 109.63 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.7 ttt -68.48 -36.31 78.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.367 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -80.28 -47.2 14.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -89.5 -31.21 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.08 -177.79 18.83 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.49 30.4 2.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.79 -37.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.677 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 26' ' ' ARG . 7.0 t0 -82.19 59.17 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.416 ' HZ3' HD11 ' A' ' 12' ' ' LEU . 93.7 m95 -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 110.472 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 pt -68.9 -32.38 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 1.1 tpp180 -68.12 -26.88 66.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.52 -20.09 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.508 0.671 . . . . 0.0 109.292 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' MET . 5.0 m -71.58 -11.8 61.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.133 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -73.06 -24.27 60.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.214 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 15' ' ' LEU . 83.3 mt -102.61 -37.85 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 28' ' ' SER . 55.8 mtm -116.1 90.66 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.498 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tp -99.34 -20.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.86 13.91 9.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.094 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.673 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 15.6 ttm105 -133.58 139.85 46.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 20.4 t-20 -62.46 113.6 9.37 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 12.5 Cg_endo -55.92 -37.03 96.51 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.343 2.695 . . . . 0.0 112.132 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.525 HH12 ' N6 ' ' B' ' 10' ' ' ' DA' . 15.2 ttm105 -66.87 -28.15 68.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.658 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' HG3' ' N7 ' ' B' ' 9' ' ' ' DG' . 3.5 mm100 -81.01 -16.79 52.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 36' ' ' PRO . 50.8 m -69.88 -30.6 68.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -70.31 -35.03 73.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.2 tt0 -69.17 -12.82 62.01 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.642 ' HD2' ' OP2' ' B' ' 8' ' ' ' DC' . 0.0 OUTLIER -96.13 -54.02 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -42.7 76.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.969 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 48' ' ' ASN . 21.8 t30 -81.52 -5.8 58.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.619 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 19.3 m-20 -122.45 8.35 9.6 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -135.13 -53.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.09 -14.54 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 10.6 t30 -81.89 -56.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 55.7 Cg_endo -93.23 -171.53 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.139 1.893 . . . . 0.0 112.023 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.51 66.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.548 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.824 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -76.31 73.69 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.236 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' H ' ' A' ' 53' ' ' THR . 74.6 mtp180 -137.4 -157.93 0.82 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.045 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 2.4 p 38.08 57.05 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 164.62 0.12 Allowed Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.77 -158.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.506 ' CZ2' ' HB3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.889 0.376 . . . . 0.0 110.981 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.29 160.44 42.57 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.123 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 69.0 Cg_exo -54.14 -28.48 51.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.204 2.602 . . . . 0.0 112.816 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.17 -39.95 82.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.314 0.578 . . . . 0.0 109.532 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.38 -34.67 61.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.459 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -62.14 -42.42 99.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.721 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.0 mtt -71.41 -39.05 71.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.7 -37.83 76.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.137 0.494 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' HZ3' ' A' ' 75' ' ' TRP . 35.1 tp -61.31 -42.12 98.14 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.503 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.92 -40.5 69.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.784 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -70.6 -50.35 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.799 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -65.78 -24.94 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 111.826 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -76.6 -29.54 56.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.797 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.13 -24.72 37.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.203 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -92.8 -43.18 9.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -92.42 -33.96 14.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.718 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.95 -164.52 18.49 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.1 34.29 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.983 2.455 . . . . 0.0 112.31 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.45 62.58 7.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 0.0 110.485 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.473 ' HZ3' HD11 ' A' ' 64' ' ' LEU . 62.2 m95 -49.57 -30.82 9.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.687 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 7.6 t-20 -58.18 -36.9 73.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.168 0.508 . . . . 0.0 109.81 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 5.7 mptp? -82.05 -36.71 27.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.975 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.23 -45.01 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.552 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -62.02 -18.14 59.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.084 0.469 . . . . 0.0 111.926 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 45.2 mttp -78.68 -22.97 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -86.45 -20.23 28.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.15 96.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.0 tttt -68.78 80.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.251 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.3 t-20 167.52 -50.68 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.908 0.755 . . . . 0.0 111.923 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.406 ' HG3' ' HD1' ' A' ' 56' ' ' TRP . 18.1 mmt180 -84.67 139.21 32.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.074 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.471 ' O ' HG13 ' A' ' 90' ' ' ILE . 4.4 p -109.65 176.66 4.99 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.231 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -71.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 2.8 t30 -54.87 -24.53 23.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.37 -51.69 10.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.508 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 86' ' ' SER . 62.7 mt -67.3 -44.82 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 O-C-N 123.02 0.2 . . . . 0.0 111.419 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' NH2' " H3'" ' C' ' 24' ' ' ' DC' . 0.0 OUTLIER -59.0 -39.27 81.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.742 0.306 . . . . 0.0 111.102 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -70.41 -45.49 65.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.074 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -64.09 -42.34 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.025 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.84 -45.43 90.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.495 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.69 -37.03 85.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.71 -50.27 31.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 tp -67.83 -32.68 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.08 75.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.911 0.386 . . . . 0.0 110.386 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -68.26 -28.29 67.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.32 -35.53 23.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.484 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 3.8 tpm_? -74.84 -28.75 60.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.54 0.42 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.261 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.5 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 27.7 mmtp 55.72 -157.78 0.23 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.5 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 3.2 p80 -161.5 102.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.084 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.8 147.97 52.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -150.45 -57.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.467 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.796 0 C2'-C3'-O3' 113.51 1.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.476 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.751 0 O4'-C1'-C2' 107.218 1.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.506 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.204 1.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.506 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.154 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.473 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.234 1.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.441 H2'' ' OP2' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 104.621 1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.441 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 C3'-C2'-C1' 104.913 1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.642 ' OP2' ' HD2' ' A' ' 42' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 105.033 1.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.68 ' N7 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.908 1.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.525 ' N6 ' HH12 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.487 1.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.491 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 104.169 1.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.482 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.482 1.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.494 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-N19 108.993 1.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.336 1.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.473 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 C2'-C3'-O3' 113.589 1.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.44 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.22 1.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.444 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.644 0 C2'-C3'-O3' 113.223 0.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.444 ' OP2' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.778 0 C2'-C3'-O3' 113.613 1.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.19 -1.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.508 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.638 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.508 ' H71' HH21 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.564 " H2'" ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.517 1.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.687 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 104.439 1.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C3'-C2'-C1' 104.846 1.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.572 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 104.948 1.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.572 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 104.057 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.436 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C2'-C3'-O3' 113.44 1.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.447 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.494 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.794 1.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.494 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 107.436 1.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.162 0.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.051 0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.28 7.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.539 0.209 . . . . 0.0 111.493 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.626 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 62.2 mttt 64.93 173.98 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.42 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.837 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 65.43 173.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.957 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.837 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 8.9 t 176.89 165.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.02 -34.86 75.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -59.38 -44.28 92.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.235 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -29.13 67.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.572 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.25 -45.42 94.6 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 109.178 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.67 -41.71 92.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -64.47 -40.43 95.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.439 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.95 -48.99 72.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.09 -45.19 50.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.066 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG23 ' A' ' 27' ' ' ILE . 8.3 mp -64.57 -46.33 83.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.534 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.96 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-O 121.322 0.582 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.45 -35.63 73.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.138 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -77.35 -50.47 12.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.479 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -84.57 -42.97 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.02 -175.85 16.16 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.76 35.43 2.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -134.76 -50.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.73 84.68 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 0.0 112.3 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CZ2' ' HB2' ' A' ' 40' ' ' ARG . 25.8 m95 -83.85 -9.96 58.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.103 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.94 -43.39 97.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.318 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -26.25 67.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.406 HG23 HD23 ' A' ' 15' ' ' LEU . 61.2 mt -82.84 -33.6 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -65.55 -13.72 59.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.814 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -64.65 -33.5 76.08 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.37 -44.43 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -92.81 87.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.906 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -94.89 -26.29 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.498 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.4 16.83 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.601 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -132.64 134.66 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.125 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HB3' ' HB2' ' A' ' 38' ' ' GLN . 1.3 t-20 -57.01 126.05 71.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.83 -42.59 56.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.741 2.294 . . . . 0.0 112.11 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' HD3' ' C6 ' ' C' ' 21' ' ' ' DT' . 36.3 mtm105 -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 2.1 mp0 -74.06 -25.78 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 m -65.27 -29.66 70.46 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -78.95 -34.34 44.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.562 178.401 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.48 -43.41 93.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.391 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -44.25 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.5 -51.63 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -66.41 -20.57 66.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -107.81 -10.83 15.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -129.18 -41.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mt -93.13 -27.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.847 0.356 . . . . 0.0 111.561 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.2 t30 -79.54 -55.57 0.86 Allowed Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 47.5 Cg_endo -98.01 -179.72 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.482 2.121 . . . . 0.0 111.509 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.88 72.72 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.57 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 51' ' ' LEU . 2.5 pt? -67.17 91.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.432 0.634 . . . . 0.0 112.254 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -160.28 -149.92 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p 37.92 47.39 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 3.6 m-20 66.97 168.48 0.11 Allowed Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 60.0 Cg_endo -74.11 -149.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.024 1.816 . . . . 0.0 111.335 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.03 167.3 12.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.589 0.233 . . . . 0.0 110.416 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -90.22 166.22 20.83 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.52 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 49.7 Cg_exo -58.54 -16.41 29.71 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.652 2.235 . . . . 0.0 112.41 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.95 -43.17 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 15.3 mp0 -73.16 -35.81 66.52 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.002 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 7.2 t70 -60.5 -43.45 97.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.082 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.8 mtt -76.88 -32.21 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.058 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.15 -33.33 38.55 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 78' ' ' ILE . 1.5 mt -61.06 -41.87 97.42 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.85 -37.32 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.439 0.462 . . . . 0.0 111.223 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -70.92 -53.37 15.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -64.46 -30.73 71.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.126 0.489 . . . . 0.0 111.474 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -72.94 -29.6 63.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.61 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.08 -9.68 52.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.392 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -101.04 -50.97 3.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -87.56 -34.19 18.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.87 -171.66 18.24 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.18 63.03 6.92 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.562 2.174 . . . . 0.0 111.298 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -118.17 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 24.5 m95 -48.74 -26.0 2.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.633 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -54.15 -40.63 67.6 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.254 0.55 . . . . 0.0 109.853 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.69 -35.88 19.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.897 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.563 HG21 HD21 ' A' ' 64' ' ' LEU . 47.4 mm -60.75 -43.1 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -63.82 -15.63 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.14 0.495 . . . . 0.0 111.714 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.59 -31.3 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -84.71 -25.64 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.445 . . . . 0.0 109.805 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -111.85 88.55 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.6 tttt -69.37 82.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.985 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 6.8 t-20 -179.47 -40.88 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -110.61 151.76 27.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.148 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.491 ' O ' HG13 ' A' ' 90' ' ' ILE . 7.9 p -107.46 174.95 5.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.045 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.02 -87.25 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -23.45 28.78 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -67.86 -49.91 59.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 86' ' ' SER . 69.1 mt -67.95 -37.99 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.458 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -55.84 -52.81 62.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.859 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.47 -44.44 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.637 HH12 " H3'" ' B' ' 5' ' ' ' DT' . 1.2 mpp_? -64.15 -44.66 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.789 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -58.58 -44.15 89.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.064 0.459 . . . . 0.0 110.612 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.8 ttt -67.74 -40.66 84.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -67.09 -45.6 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.29 -41.71 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.506 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.3 72.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 99' ' ' ARG . 3.3 ttp85 -64.82 -29.8 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.976 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.09 -26.89 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.99 -32.1 45.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.54 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.4 -8.19 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.913 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp 59.92 -159.95 0.3 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 112.175 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -160.84 115.89 2.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.446 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -83.55 153.74 24.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -158.31 -74.99 0.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.483 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.541 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.624 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.448 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.267 1.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.537 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.095 0.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.537 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.135 -1.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.637 " H3'" HH12 ' A' ' 93' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C3'-C2'-C1' 104.001 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 C3'-C2'-C1' 104.31 1.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.486 H2'' ' OP2' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 104.656 1.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.626 H5'' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 104.697 1.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.537 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 104.53 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 104.549 1.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.461 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.161 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.504 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.33 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.504 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.975 1.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.496 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.468 ' OP2' H2'' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C2'-C3'-O3' 113.185 0.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.427 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.571 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.42 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.438 0.501 0 O4'-C1'-C2' 107.058 0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.471 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C2'-C3'-O3' 114.14 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.471 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.44 0.68 0 O4'-C1'-N19 108.576 0.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.449 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.753 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.55 ' C6 ' ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.121 0.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.497 H2'' ' OP2' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.773 0 O4'-C1'-C2' 107.561 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.397 1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.661 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 C3'-C2'-C1' 104.326 1.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.661 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C2'-C3'-O3' 114.399 1.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.58 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.101 1.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.521 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C2'-C3'-O3' 113.395 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.467 ' OP2' H2'' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C3'-C2'-C1' 104.007 0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.535 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.728 1.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.535 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.25 1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.519 ' H72' " C2'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 107.229 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.481 ' HE2' H5'' ' C' ' 28' ' ' ' DA' . 0.3 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.404 HG12 " H4'" ' C' ' 28' ' ' ' DA' . 35.6 m -76.36 -13.44 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.5 mttt 66.92 161.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.194 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB2' ' OP1' ' B' ' 8' ' ' ' DC' . 4.4 t80 65.85 175.12 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.959 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 10.6 t 172.83 178.67 0.09 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.948 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.36 -42.66 99.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.442 0.463 . . . . 0.0 111.519 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -53.48 -48.81 68.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.794 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -31.17 67.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.878 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.78 -48.59 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.227 0.537 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.91 -37.39 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.428 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.93 -35.81 82.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.586 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 16.4 tp -56.44 -48.93 75.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.54 -37.01 69.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.478 . . . . 0.0 110.805 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.679 HD23 HG23 ' A' ' 27' ' ' ILE . 6.1 mp -69.22 -42.97 75.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.469 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.24 -31.04 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 0.0 110.117 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.9 ttt -71.26 -34.39 70.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -84.49 -46.08 11.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -94.6 -18.63 21.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.48 -160.46 21.21 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.626 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.91 30.6 7.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.05 0.453 . . . . 0.0 110.503 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -131.55 -48.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.181 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.65 66.01 4.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.284 0.564 . . . . 0.0 111.5 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.449 ' NE1' ' HD3' ' A' ' 40' ' ' ARG . 90.5 m95 -77.9 -13.39 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 8.0 mt -65.68 -38.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.251 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -25.53 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.451 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.679 HG23 HD23 ' A' ' 15' ' ' LEU . 80.1 mt -84.54 -22.76 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -79.3 1.02 26.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -74.93 -51.6 13.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.32 -30.23 60.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.46 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 mtt -108.73 92.36 4.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.645 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 tt -92.85 -33.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.103 0.478 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.36 20.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.89 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -134.03 131.21 38.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.93 126.92 82.52 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.27 -40.94 68.77 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.652 2.235 . . . . 0.0 111.895 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.709 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.9 OUTLIER -68.72 -24.85 64.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.994 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.1 -28.9 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.65 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 m -66.49 -37.82 85.93 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HD3' ' NE1' ' A' ' 24' ' ' TRP . 13.1 ttp180 -67.79 -38.55 83.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.691 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 3.6 tt0 -66.33 -23.25 66.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.125 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.86 -61.3 2.02 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.491 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 2.8 t-105 -57.32 -44.94 84.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 51.3 t30 -65.86 -28.14 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 22.9 m-80 -109.44 2.94 20.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -126.86 -52.41 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -100.74 -12.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.562 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 64.3 t30 -79.83 -56.97 0.72 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 63.3 Cg_endo -94.46 -175.4 0.4 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.04 59.88 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 pt? -64.18 70.85 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.737 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -147.56 -148.1 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 38.92 55.39 2.04 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 60.8 m-20 65.04 169.78 0.1 Allowed Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.926 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.696 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 62.9 Cg_endo -74.49 -157.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.182 1.921 . . . . 0.0 111.637 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -81.43 163.09 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.552 -179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.46 166.2 31.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.604 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.43 -25.98 68.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.794 2.33 . . . . 0.0 111.075 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.05 -38.77 89.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -69.08 -39.15 79.21 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.437 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.73 -43.79 85.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.275 0.559 . . . . 0.0 110.575 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.0 mtt -72.89 -42.76 63.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.914 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.1 tp -70.9 -42.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 6.3 mt -59.3 -39.8 84.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.08 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.97 -37.77 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.085 0.469 . . . . 0.0 110.384 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 35.5 tt0 -74.85 -50.13 18.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.369 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.79 -31.39 71.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -76.38 -30.23 57.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.228 0.537 . . . . 0.0 109.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.71 -8.25 59.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.272 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 46.4 mm-40 -108.01 -51.31 2.92 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -89.48 -30.15 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.722 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.04 -141.97 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -88.27 25.96 0.61 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.817 2.345 . . . . 0.0 111.621 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -77.7 56.94 1.56 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.529 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.735 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 47.8 m95 -55.39 -22.6 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.889 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -60.89 -39.61 89.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 1.8 mptp? -85.54 -32.58 22.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.752 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.735 ' HB ' ' HA ' ' A' ' 75' ' ' TRP . 25.0 mm -60.53 -42.85 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.302 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -64.39 -14.44 56.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.021 0.439 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.651 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 32.3 mttp -83.57 -26.03 30.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.421 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -85.88 -22.99 27.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.37 0.605 . . . . 0.0 109.368 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.83 76.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 83.6 tttt -58.69 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.964 -1.017 . . . . 0.0 112.14 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 64.5 t30 172.36 -44.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.768 0.668 . . . . 0.0 111.724 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -103.05 151.28 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -109.98 175.96 5.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.714 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 3.8 t30 -55.63 -20.87 15.26 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -83.41 -45.31 13.83 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.316 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.58 -49.36 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HD3' ' NE1' ' A' ' 75' ' ' TRP . 3.8 tpt85 -57.37 -38.61 74.47 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.998 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 16.0 t-20 -64.2 -53.75 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.24 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HA ' ' HB3' ' A' ' 96' ' ' MET . 1.4 tpp180 -68.12 -30.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.557 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.509 ' HZ3' ' HB3' ' A' ' 64' ' ' LEU . 69.3 t-105 -59.23 -48.53 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.6 ttt -73.64 -37.37 65.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.394 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.432 ' HB3' ' HA ' ' A' ' 93' ' ' ARG . 1.7 tmt? -62.52 -47.79 82.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.493 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.53 -24.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.085 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.56 -32.79 73.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.975 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -64.81 -25.53 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -90.7 -34.89 15.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -66.89 -35.63 80.44 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.133 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.15 -0.12 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.956 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 51.42 -145.93 0.49 Allowed 'General case' 0 CA--C 1.529 0.165 0 O-C-N 123.569 0.543 . . . . 0.0 111.996 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -166.3 142.1 4.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.75 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -116.11 152.06 34.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -148.24 -64.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.255 179.81 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.441 0.746 0 C4'-C3'-C2' 102.162 -1.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.362 1.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.509 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.226 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.472 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 102.072 -1.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.108 0.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.556 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 104.561 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.556 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 105.076 1.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.641 ' OP1' ' HB2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 104.65 1.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.526 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 105.023 1.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.622 H2'' ' H71' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 104.352 1.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.622 ' H71' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 104.336 1.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.454 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 107.272 1.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.509 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-N19 108.715 1.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.509 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 N19-C1'-C2' 116.089 1.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.438 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C2'-C3'-O3' 113.371 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.431 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 O4'-C1'-C2' 107.231 1.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-C2' 107.08 0.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.429 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C2'-C3'-O3' 113.7 1.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C2'-C3'-O3' 113.449 1.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.498 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.733 0 O4'-C1'-C2' 107.33 1.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.709 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 P-O3'-C3' 120.654 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.524 " H2'" ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 104.709 1.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.524 ' H72' " H2'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 104.256 1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.585 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.73 1.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.585 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 104.858 1.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.57 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 104.27 1.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C2'-C3'-O3' 112.989 0.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.481 H5'' ' HE2' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 C2'-C3'-O3' 113.198 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.482 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.666 1.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.482 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.243 1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.441 H2'' ' OP2' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.414 1.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.441 ' OP2' H2'' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 N19-C1'-C2' 115.617 0.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.552 ' HG2' " O3'" ' C' ' 28' ' ' ' DA' . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.654 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.645 ' HG3' ' C6 ' ' B' ' 8' ' ' ' DC' . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.57 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.417 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.526 0 C2'-C3'-O3' 113.483 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.543 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.796 0 O4'-C1'-C2' 107.347 1.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.543 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.442 0.813 0 O4'-C1'-C2' 107.231 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.119 -1.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.47 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.124 0.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.553 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.442 1.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.553 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C2'-C3'-O3' 114.641 1.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.645 ' C6 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 104.503 1.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.539 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C3'-C2'-C1' 104.457 1.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.482 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 104.52 1.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.482 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-C2' 107.324 1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O4'-C1'-N19 108.662 1.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.501 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.4 1.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.5 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C2'-C3'-O3' 113.37 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.43 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-C2' 107.353 1.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 107.11 0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C2'-C3'-O3' 113.63 1.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.461 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C2'-C3'-O3' 113.551 1.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.453 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 107.251 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.654 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 106.965 0.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 104.572 1.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.516 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.378 1.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.585 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 104.366 1.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.585 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C3'-C2'-C1' 104.844 1.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.563 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-C1' 104.131 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C2'-C3'-O3' 113.18 0.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.552 " O3'" ' HG2' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.151 1.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.487 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 107.198 0.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.487 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.352 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.552 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 107.307 1.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.552 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.072 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.566 0.222 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 m -84.49 3.1 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 111.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 62.39 172.11 0.13 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.805 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.67 -171.8 0.15 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.347 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.902 HG22 ' HG2' ' A' ' 8' ' ' GLU . 11.2 t 172.96 179.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.82 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 111.584 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.98 -35.16 79.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.329 . . . . 0.0 111.307 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.902 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.7 mm-40 -76.81 -28.6 55.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.47 -45.55 88.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.063 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.49 -36.14 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.558 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -66.36 -34.54 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 37.2 tp -59.54 -49.63 77.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.29 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -55.72 -39.78 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.826 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.06 -45.67 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.51 -41.79 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 12' ' ' LEU . 76.0 t -64.76 -31.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.219 0.533 . . . . 0.0 110.344 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.42 -37.27 71.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -85.36 -42.5 14.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.01 -41.44 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.89 -160.57 14.02 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 24.73 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 111.074 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -126.54 -47.26 1.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.387 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.78 62.79 4.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.168 0.509 . . . . 0.0 111.708 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -73.4 -16.61 61.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 12.2 mt -60.44 -40.99 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.023 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -34.25 73.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.707 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG23 HD23 ' A' ' 15' ' ' LEU . 64.1 mt -78.77 -30.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.857 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -67.65 -16.73 64.3 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.356 0.598 . . . . 0.0 110.782 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -75.17 -23.47 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.621 0.724 . . . . 0.0 109.784 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.2 mt -95.15 -47.0 6.55 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.6 mtt -99.54 90.45 4.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -100.15 -13.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.426 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.7 8.93 34.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.653 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.587 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 8.3 ttm105 -134.03 143.18 47.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.836 -0.165 . . . . 0.0 110.947 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.962 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 46.4 t-20 -61.3 120.9 59.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.25 -40.98 22.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.71 2.94 . . . . 0.0 113.472 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' NH1' ' H62' ' C' ' 22' ' ' ' DA' . 38.3 mtm105 -70.2 -20.21 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 7.9 mm100 -73.63 -30.13 62.78 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.183 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.87 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.455 HH12 " H3'" ' C' ' 21' ' ' ' DT' . 33.9 ttm180 -74.52 -43.89 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.802 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 16.6 tt0 -64.99 -24.88 67.64 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.527 ' NH1' " H3'" ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -76.77 -56.56 4.5 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.275 179.462 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -40.36 77.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.193 0.52 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -66.38 -20.96 66.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.483 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' HD21 ' A' ' 51' ' ' LEU . 50.1 m-80 -121.03 7.65 10.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -122.5 -52.83 1.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.214 0.916 . . . . 0.0 112.927 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.0 -4.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.532 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 9.2 t30 -88.03 -55.12 0.34 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 49.9 Cg_endo -97.32 -176.45 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.442 2.095 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.3 62.35 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -73.44 78.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.3 0.572 . . . . 0.0 112.386 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.4 OUTLIER -148.25 -153.58 0.5 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.763 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.46 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 1.6 m 37.02 54.54 1.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -178.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER 67.93 163.76 0.13 Allowed Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.345 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.7 Cg_endo -71.98 -152.08 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.359 2.039 . . . . 0.0 112.245 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.84 165.63 13.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.538 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.57 163.64 38.06 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.128 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.9 Cg_exo -56.73 -18.71 27.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.048 2.498 . . . . 0.0 112.981 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.49 -43.52 72.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.28 -34.58 72.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.836 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.5 OUTLIER -58.29 -44.05 88.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.04 -37.28 64.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.761 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.63 -38.54 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.085 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.619 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.3 tt -60.73 -44.55 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.64 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' HB2' ' HH2' ' A' ' 94' ' ' TRP . 36.2 t70 -58.99 -35.92 74.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.203 0.525 . . . . 0.0 110.541 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.15 -49.98 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.48 -25.18 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -75.44 -23.62 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.732 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.71 -5.8 53.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -110.3 -46.58 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.325 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -92.2 -36.25 13.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.272 0.558 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.8 -160.61 15.36 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.7 35.2 0.56 Allowed 'Trans proline' 0 CA--C 1.527 0.129 0 C-N-CA 122.821 2.347 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -83.26 63.64 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.619 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 43.1 m95 -47.94 -35.42 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.611 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 0.1 OUTLIER -61.12 -29.92 70.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.274 0.559 . . . . 0.0 110.78 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -87.72 -36.39 17.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.302 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.57 -39.53 84.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 p -64.59 -16.21 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.139 0.495 . . . . 0.0 111.618 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 37.1 mttp -80.32 -21.33 42.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.112 0.482 . . . . 0.0 110.485 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.72 -16.89 23.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.354 0.597 . . . . 0.0 109.564 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -117.56 90.74 3.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.456 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 68.6 tttt -71.85 75.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.464 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 7.1 t-20 177.17 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 3.7 mmt180 -95.25 141.47 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 5.2 p -105.63 176.94 5.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -72.38 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.83 -24.08 34.34 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -79.65 -50.02 11.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 86' ' ' SER . 81.5 mt -62.79 -42.36 95.99 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.422 HH21 ' P ' ' C' ' 24' ' ' ' DC' . 1.2 tpp180 -60.08 -48.24 82.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.44 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.91 -46.65 88.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -47.84 76.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.483 ' HH2' ' HB2' ' A' ' 65' ' ' ASP . 73.9 t-105 -60.79 -41.98 96.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.193 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 10.9 ttt -67.8 -34.93 77.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -78.08 -49.25 14.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.858 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 97' ' ' ILE . 7.9 tp -63.91 -29.2 46.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.79 70.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -73.83 -23.26 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.776 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -90.29 -31.17 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -69.54 -39.63 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.198 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.43 4.98 13.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 51.77 -150.76 0.29 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -162.1 101.98 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.718 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -58.21 149.24 24.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -154.76 -52.77 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.985 0.422 . . . . 0.0 109.956 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 179.797 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.216 1.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.508 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.772 0 O4'-C1'-C2' 107.161 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.521 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.145 0.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.521 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.232 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.13 0.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.472 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.749 0 O4'-C1'-C2' 107.391 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.527 " H3'" ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O3'--C3' 1.441 0.752 0 C3'-C2'-C1' 104.767 1.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.544 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.798 0 C3'-C2'-C1' 105.098 1.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.544 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.521 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.49 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 104.346 1.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.451 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 C3'-C2'-C1' 104.159 1.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.471 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.501 " C2'" ' H72' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.306 1.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.501 ' H72' " C2'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.452 1.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.476 H2'' ' OP2' ' B' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C2'-C3'-O3' 113.401 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.476 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O4'-C1'-C2' 107.197 0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 107.11 0.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.478 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C2'-C3'-O3' 113.864 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.478 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 102.266 -0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.506 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.258 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.506 ' H72' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.048 0.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.54 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.556 1.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.611 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.775 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.424 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C3'-C2'-C1' 104.798 1.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.553 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.913 1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.553 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 104.195 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.519 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C2'-C3'-O3' 113.168 0.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.472 ' C8 ' ' H72' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.275 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.486 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.738 1.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.486 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.252 1.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.499 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.343 1.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.499 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 N19-C1'-C2' 115.585 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.548 ' HE3' H5'' ' C' ' 28' ' ' ' DA' . 44.5 tttp . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.32 10.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 mttt 60.38 -176.35 0.11 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.508 0.505 . . . . 0.0 110.876 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.555 ' O ' ' HB ' ' A' ' 5' ' ' THR . 6.3 t80 62.87 168.3 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.696 HG22 ' HG2' ' A' ' 8' ' ' GLU . 9.5 t 169.01 170.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.195 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.48 -39.04 78.88 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.348 0.405 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.2 mt-10 -59.34 -22.46 61.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.626 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 5' ' ' THR . 14.4 mm-40 -87.51 -33.77 18.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.14 -45.38 83.61 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.467 0.651 . . . . 0.0 109.452 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.92 -42.09 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.739 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 46.7 mttp -63.3 -41.35 98.96 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.65 -52.56 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.522 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -52.77 -38.61 61.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.484 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.45 -46.48 26.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 27' ' ' ILE . 7.7 mp -64.27 -48.56 75.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.53 -33.44 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 110.669 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 ttt -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -87.52 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 23.9 m-85 -89.97 -44.92 9.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.17 -165.07 15.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.027 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.36 25.83 9.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.779 0.323 . . . . 0.0 111.838 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -141.3 -31.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 37.1 t0 -80.38 49.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.482 . . . . 0.0 111.923 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -69.88 -19.84 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.277 0.56 . . . . 0.0 109.985 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.7 pt -67.0 -31.02 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.155 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -64.92 -31.52 72.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 HD23 ' A' ' 15' ' ' LEU . 54.8 mt -76.72 -27.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.411 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' MET . 3.3 m -66.76 -14.01 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.615 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.31 -36.43 81.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.355 0.598 . . . . 0.0 109.646 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 mt -93.08 -50.98 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' SER . 50.1 mtt -98.08 93.26 6.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -104.25 -9.97 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.0 110.641 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.51 18.93 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.609 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 34.5 ttm180 -145.67 147.83 32.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 1.069 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 97.9 m-20 -63.06 136.39 96.66 Favored Pre-proline 0 C--O 1.236 0.365 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.37 -38.44 82.5 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.516 2.144 . . . . 0.0 111.578 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.772 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 26.3 mtm105 -70.25 -22.35 62.9 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.717 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 1.069 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 8.2 mm100 -69.92 -34.24 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.011 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 22.8 m -67.23 -34.24 77.05 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 54.7 ttt180 -70.5 -37.84 74.22 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.552 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.5 tt0 -65.17 -28.06 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.735 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 1.7 mmp_? -72.5 -58.84 3.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 6.1 t-105 -56.1 -50.16 71.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 m-20 -63.33 -26.22 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 24.2 m-80 -114.29 15.07 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -140.4 -52.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.23 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.556 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -102.59 -17.08 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -177.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.698 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.5 t-20 -77.48 -57.46 1.05 Allowed Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 48.8 Cg_endo -97.27 -171.68 0.16 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.466 2.111 . . . . 0.0 112.192 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.83 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.91 73.11 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.94 179.128 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 35.2 mtp180 -140.01 -154.12 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.94 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 33.03 52.67 0.34 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 72.84 153.4 0.15 Allowed Pre-proline 0 N--CA 1.474 0.773 0 O-C-N 123.438 0.461 . . . . 0.0 111.696 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' TRP . 67.7 Cg_endo -74.77 -144.45 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.538 2.159 . . . . 0.0 112.369 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.483 ' H ' ' HB2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -92.09 158.32 16.27 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.278 -0.264 . . . . 0.0 110.623 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.88 169.28 12.03 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.634 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.6 Cg_exo -57.55 -16.6 24.59 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.974 2.449 . . . . 0.0 113.099 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.42 -44.2 68.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -74.15 -33.67 63.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.84 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.918 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -71.67 -35.99 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.24 -42.87 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.019 0.438 . . . . 0.0 110.372 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 6.8 tt -61.71 -39.9 93.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.69 -39.84 68.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.06 -50.82 29.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.32 -22.51 66.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.689 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -73.41 -24.7 60.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.22 0.533 . . . . 0.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.62 2.23 44.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.172 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -112.23 -53.97 2.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.692 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -93.78 -32.77 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.221 0.534 . . . . 0.0 109.671 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.36 -162.09 16.96 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.21 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.46 37.88 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.762 2.308 . . . . 0.0 111.807 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -89.32 62.29 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.171 0.51 . . . . 0.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.629 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 24.6 m95 -48.9 -28.25 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.803 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.72 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 11.6 t-20 -54.33 -40.5 68.06 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.132 0.491 . . . . 0.0 109.75 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -83.41 -36.57 24.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.799 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.72 -43.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -66.41 -22.08 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.268 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -81.41 -29.78 33.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.45 -58.02 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.7 92.3 6.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.48 92.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.069 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.72 -72.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -103.58 167.88 9.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.058 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 p -107.02 -178.84 3.76 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.374 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -46.36 -84.13 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -29.04 28.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.58 -46.86 65.38 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.178 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.86 -42.74 86.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 tpt180 -56.9 -48.61 77.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.56 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.56 -47.06 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.254 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.0 tpp180 -64.51 -39.9 94.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.721 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -61.2 -47.4 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 0.0 110.47 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 ttt -65.58 -31.7 72.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.491 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 ttt -74.26 -50.09 20.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.049 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 tp -69.86 -30.69 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.09 91.23 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.805 0.336 . . . . 0.0 110.426 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -65.25 -26.37 68.07 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.362 0.601 . . . . 0.0 110.48 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -85.71 -32.78 21.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.763 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -72.73 -36.72 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.61 1.33 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.29 -143.36 0.73 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.809 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -164.49 125.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -80.95 147.26 30.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -164.64 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.099 0.476 . . . . 0.0 110.458 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.42 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.793 0 C2'-C3'-O3' 113.292 0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.523 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C2'-C3'-O3' 113.256 0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.523 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 107.262 1.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.513 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C4'-C3'-C2' 102.124 -1.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.495 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 103.93 0.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 104.693 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.497 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 104.658 1.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.565 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 104.523 1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.609 ' OP2' ' HA ' ' A' ' 34' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 104.915 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.515 " C2'" ' H72' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 104.613 1.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.515 ' H72' " C2'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 104.168 1.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.48 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 107.266 1.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.535 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.716 1.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.535 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 107.427 1.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.436 ' H72' " C2'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C2'-C3'-O3' 113.03 0.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.41 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.342 1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.539 0 O4'-C1'-C2' 107.073 0.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.45 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C2'-C3'-O3' 113.774 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C2'-C3'-O3' 113.686 1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.496 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.21 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.772 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.505 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.442 0.857 0 C3'-C2'-C1' 104.481 1.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.72 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 104.655 1.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.601 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.314 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 104.509 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.566 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 104.746 1.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.506 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C2'-C3'-O3' 113.726 1.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.548 H5'' ' HE3' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C2'-C3'-O3' 113.239 0.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.477 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.273 1.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.477 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.239 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.517 " C2'" ' H72' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.622 0 O4'-C1'-C2' 107.221 1.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.517 ' H72' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.11 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.6 tttp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.636 0.255 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG11 H5'' ' C' ' 29' ' ' ' DT' . 19.0 m -67.7 -12.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HB2' " H4'" ' B' ' 8' ' ' ' DC' . 34.1 mmtp 71.98 139.12 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.538 0.524 . . . . 0.0 111.436 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 63.62 -170.61 0.18 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.357 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.6 t 176.37 176.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.402 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 30.5 mt-10 -60.34 -42.26 95.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.36 0.413 . . . . 0.0 111.903 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.7 -41.01 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.793 ' HG2' HG22 ' A' ' 5' ' ' THR . 18.1 mm-40 -68.88 -33.28 73.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.231 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.8 -39.39 94.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.254 0.55 . . . . 0.0 109.876 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 58.0 mt -63.83 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.09 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.18 -29.59 64.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.618 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 42' ' ' ARG . 23.3 tp -56.72 -49.23 75.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.623 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -58.97 -32.01 69.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 0.0 110.513 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 84.2 mm-40 -74.8 -43.78 52.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.275 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 30' ' ' LEU . 5.9 mp -66.35 -43.81 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.747 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.58 -39.61 76.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.857 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -56.91 -28.71 62.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.883 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 14' ' ' GLN . 5.3 mtp180 -101.69 -25.9 13.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.25 -32.79 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.34 -136.97 13.2 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.943 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.57 21.55 3.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -130.78 -43.3 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.828 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.08 64.77 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HE3' HD12 ' A' ' 27' ' ' ILE . 73.4 m95 -81.68 -8.25 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.133 0.492 . . . . 0.0 109.895 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.5 mt -73.81 -29.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.966 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -26.5 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.841 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.442 HG12 HD23 ' A' ' 15' ' ' LEU . 63.1 mt -77.43 -36.94 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' MET . 7.3 m -59.2 -18.15 34.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.188 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -68.33 -30.47 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.236 0.541 . . . . 0.0 109.846 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 15' ' ' LEU . 65.1 mt -89.37 -48.4 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 28' ' ' SER . 3.3 ttm -112.75 101.51 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 tt -104.63 -4.8 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 0.0 111.278 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.49 13.79 14.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.84 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HA ' ' OP1' ' B' ' 9' ' ' ' DG' . 12.6 ptm85 -138.72 153.39 48.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.347 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.991 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 38.7 t-20 -64.76 123.97 84.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.832 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.72 -44.53 40.27 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.419 2.746 . . . . 0.0 113.04 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' NH2' ' H62' ' C' ' 22' ' ' ' DA' . 19.8 ttm105 -65.43 -25.16 67.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.697 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.991 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 22.6 mm-40 -69.1 -20.01 64.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.496 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.09 -33.26 65.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -72.09 -45.39 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 7.6 tt0 -61.32 -24.63 66.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.09 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 12' ' ' LEU . 2.3 tpm_? -71.27 -62.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.836 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.89 -38.65 89.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.055 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 54.3 t30 -66.57 -22.41 66.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -113.95 11.78 17.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -142.93 -42.29 0.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' HB ' ' HE3' ' A' ' 43' ' ' TRP . 2.1 mt -101.18 -15.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.096 0.474 . . . . 0.0 111.72 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.717 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 62.1 t30 -87.77 -59.3 0.26 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 62.6 Cg_endo -92.6 178.67 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.356 2.038 . . . . 0.0 111.474 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.14 93.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.55 76.12 2.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.275 0.559 . . . . 0.0 111.188 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -127.67 -36.39 2.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 47.65 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.778 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 41.7 m-20 60.04 174.86 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.888 0.475 . . . . 0.0 111.777 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 70.6 Cg_endo -75.21 177.21 8.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.915 1.744 . . . . 0.0 110.601 177.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.56 151.54 16.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 178.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.41 166.87 37.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.306 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -54.85 -22.87 31.53 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.86 2.373 . . . . 0.0 112.705 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.58 -41.29 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.869 ' HG2' HD11 ' A' ' 82' ' ' LEU . 2.1 mp0 -74.05 -32.99 63.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.689 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.1 -43.97 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.267 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 69.6 mtm -69.2 -39.08 78.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.9 -42.34 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.595 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.9 tt -61.2 -40.03 92.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.954 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.25 -39.76 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.93 -43.17 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.05 -23.76 62.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.759 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -75.08 -31.59 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.531 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -40.65 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -89.79 -122.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -10.98 -60.44 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.73 -157.4 15.1 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.61 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.25 37.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.205 2.604 . . . . 0.0 112.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -82.21 62.62 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 6.5 m95 -45.42 -38.45 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.606 ' HB2' ' P ' ' C' ' 23' ' ' ' DT' . 3.0 t-20 -68.43 -17.09 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.375 . . . . 0.0 111.577 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -100.72 -41.33 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.51 -24.88 33.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -66.39 -10.9 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.577 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 4.7 mptt -77.66 -28.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -86.29 -22.86 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.071 0.463 . . . . 0.0 110.022 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.869 HD11 ' HG2' ' A' ' 60' ' ' GLU . 1.4 mm? -110.55 83.14 1.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.724 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -64.79 86.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 154.94 -37.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.723 1.264 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -83.04 125.56 31.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.583 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 90' ' ' ILE . 10.7 p -103.13 173.3 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -70.54 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.65 -25.43 64.69 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 8.1 t30 -70.0 -51.29 33.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.546 0.212 . . . . 0.0 110.796 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 86' ' ' SER . 52.1 mt -68.79 -37.48 77.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.443 ' CZ ' " H2'" ' C' ' 24' ' ' ' DC' . 0.8 OUTLIER -54.71 -52.53 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.447 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.538 HD21 ' H62' ' B' ' 7' ' ' ' DA' . 3.6 m-20 -69.45 -38.81 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -64.51 -40.28 95.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.678 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -59.35 -45.26 91.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.683 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 45.0 ttm -67.53 -39.74 85.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -49.79 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.825 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 97' ' ' ILE . 5.5 tp -66.07 -33.32 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.843 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.47 87.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.33 -28.5 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.113 0.483 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -88.92 -20.51 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.264 0.554 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.1 tpm_? -86.41 -33.63 20.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.369 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -1.72 13.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.181 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 59.92 -163.32 0.24 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.969 0.414 . . . . 0.0 111.499 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -155.38 104.94 2.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.784 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.65 154.07 38.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.507 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -163.4 -54.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.165 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.388 179.419 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.44 0.685 0 C2'-C3'-O3' 113.042 0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.801 0 O4'-C1'-C2' 107.256 1.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.511 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.131 0.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.511 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.44 0.69 0 O4'-C1'-C2' 107.241 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.473 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.307 1.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.419 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 104.344 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.538 ' H62' HD21 ' A' ' 92' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.754 1.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.572 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.784 0 C3'-C2'-C1' 105.039 1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.616 ' N7 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.526 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 108.847 1.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.506 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.216 1.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.479 ' C8 ' ' H72' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.363 1.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.513 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-N19 108.751 1.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.513 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.443 1.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C2'-C3'-O3' 113.714 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.478 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.443 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.623 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C2'-C3'-O3' 113.893 1.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.487 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C2'-C3'-O3' 113.451 1.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.498 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.225 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.498 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.95 0.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.544 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.473 1.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.606 ' P ' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.008 1.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.46 " H5'" " H1'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-C1' 104.945 1.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.578 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 104.794 1.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.578 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.417 1.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.454 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C2'-C3'-O3' 113.442 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.441 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.059 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.526 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.185 0.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.526 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.224 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.491 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.352 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.491 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.62 0.247 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.0 -4.56 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt 65.73 172.45 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.619 0.574 . . . . 0.0 112.259 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' HB2' ' OP1' ' B' ' 8' ' ' ' DC' . 1.7 t80 63.19 178.47 0.15 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.771 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.893 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.2 t 167.73 171.77 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.33 -44.14 97.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.22 -40.93 71.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.201 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' A' ' 5' ' ' THR . 17.9 mm-40 -70.2 -31.1 68.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.549 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 42' ' ' ARG . 13.4 t70 -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.306 0.574 . . . . 0.0 110.367 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.2 -41.69 98.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.301 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -66.95 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.314 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.0 tp -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -55.98 -42.47 76.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.939 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -68.25 -45.38 73.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.66 ' HG ' ' HE2' ' A' ' 19' ' ' TYR . 8.4 mp -65.23 -42.23 93.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.04 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.8 -32.36 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.323 0.582 . . . . 0.0 110.168 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.1 ttt -69.64 -36.38 76.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.453 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -83.42 -48.65 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.66 ' HE2' ' HG ' ' A' ' 15' ' ' LEU . 93.3 m-85 -84.62 -35.14 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.85 -161.88 12.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.856 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.01 24.5 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.974 0.416 . . . . 0.0 111.244 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -136.49 -34.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.645 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -84.35 53.04 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.171 0.51 . . . . 0.0 111.993 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -69.43 -23.25 63.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.722 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.1 pt -65.9 -35.17 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -23.93 65.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.279 0.561 . . . . 0.0 109.966 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 82.3 mt -82.11 -28.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -68.75 -6.87 29.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.18 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -73.23 -26.92 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.35 -36.09 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.0 mtt -101.62 83.83 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -94.73 -15.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.919 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.99 24.54 5.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 35.3 ttm105 -143.98 142.74 30.88 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.217 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.757 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -62.73 132.63 94.73 Favored Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.41 -36.76 70.64 Favored 'Trans proline' 0 N--CA 1.473 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 111.509 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.625 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 24.4 mtm105 -75.4 -18.57 59.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.05 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.757 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.88 -38.17 76.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 43.2 m -64.1 -36.69 84.85 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -67.73 -42.59 81.66 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.648 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.01 -29.78 70.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 9' ' ' ASP . 5.7 mmm180 -71.22 -57.62 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.312 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -58.7 -49.08 78.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -62.43 -20.84 64.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.371 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.5 23.73 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.656 ' HA ' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -156.47 -45.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -26.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 6.1 t30 -76.42 -57.44 1.33 Allowed Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 64.4 Cg_endo -94.6 -173.4 0.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.154 1.903 . . . . 0.0 111.949 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.14 58.53 0.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -67.3 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.757 . . . . 0.0 112.361 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -147.07 -145.88 0.18 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 41.65 48.4 3.58 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 6.8 m-20 64.35 171.83 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.653 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.6 Cg_endo -72.18 -159.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.032 1.822 . . . . 0.0 112.08 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -83.73 166.25 18.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.18 164.5 21.23 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.1 Cg_exo -57.12 -17.62 25.93 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.57 -41.68 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -74.52 -39.2 62.53 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.4 t70 -54.99 -42.05 72.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.2 mtt -77.78 -42.04 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.163 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.5 -44.53 64.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.59 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.748 HD21 HG21 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -58.96 -39.91 83.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.746 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.63 -35.74 61.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 3.4 tt0 -77.79 -50.73 11.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.43 -27.02 68.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -76.47 -24.54 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.575 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.29 -5.43 58.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 54.6 mm-40 -105.0 -53.85 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -88.24 -29.4 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.638 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.69 -158.37 17.15 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.96 32.89 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.965 2.444 . . . . 0.0 111.733 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -82.67 61.12 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.422 ' HZ3' ' CD2' ' A' ' 64' ' ' LEU . 36.9 m95 -52.06 -31.07 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.537 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.685 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 22.7 t-20 -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -78.81 -34.03 45.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.748 HG21 HD21 ' A' ' 64' ' ' LEU . 41.8 mm -71.14 -38.41 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.107 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -61.11 -14.97 28.12 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -74.61 -17.85 60.65 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -100.36 -13.47 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.158 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -121.27 83.1 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 69.2 tttt -67.51 83.71 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.933 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 23.0 t-20 166.64 -39.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.954 0.784 . . . . 0.0 111.136 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 56' ' ' TRP . 22.2 mmt180 -97.77 135.52 39.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.374 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 p -105.57 174.74 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -55.24 -26.41 39.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.51 -52.26 16.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.39 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.17 -44.15 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.468 ' NH2' " H3'" ' C' ' 24' ' ' ' DC' . 1.1 tpp180 -57.24 -49.11 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -48.57 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 12.5 tpp180 -68.79 -38.47 80.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.415 ' HA ' HG22 ' A' ' 97' ' ' ILE . 68.3 t-105 -62.33 -45.28 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.987 0.423 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.3 ttt -65.35 -23.56 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.722 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -49.06 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.381 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.421 HG21 ' HZ3' ' A' ' 56' ' ' TRP . 10.0 tp -65.41 -33.19 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.51 -33.37 72.52 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.009 0.433 . . . . 0.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -67.47 -23.98 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.645 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -89.01 -40.47 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.972 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -68.58 -34.15 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.737 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.25 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.451 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 49.66 -147.38 0.33 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.32 110.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -71.75 160.18 33.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -152.34 -64.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.434 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.17 179.706 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.425 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.616 0 C2'-C3'-O3' 113.362 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.502 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.995 0 O4'-C1'-C2' 107.339 1.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.502 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.046 -1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.496 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.18 0.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.611 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.482 1.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.611 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C2'-C3'-O3' 114.412 1.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.606 ' OP1' ' HB2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C3'-C2'-C1' 104.507 1.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.545 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C3'-C2'-C1' 104.712 1.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.58 ' N6 ' HH12 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C3'-C2'-C1' 104.482 1.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.454 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C3'-C2'-C1' 104.118 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.46 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.351 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.517 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O4'-C1'-N19 108.724 1.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.517 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.438 1.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.454 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 C2'-C3'-O3' 113.27 0.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.421 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-C2' 107.258 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.1 0.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.447 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C2'-C3'-O3' 114.022 1.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.452 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-C2' 107.154 0.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.331 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.625 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 106.999 0.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.465 " C2'" ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 104.535 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.685 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 104.771 1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.555 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 104.347 1.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.555 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 104.489 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.54 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 104.708 1.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.529 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C2'-C3'-O3' 113.681 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.144 0.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.481 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.689 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.481 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C2'-C3'-O3' 113.318 1.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.449 ' H72' " C2'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.162 0.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.427 ' OP2' H2'' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.144 0.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.559 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.849 ' HD2' ' P ' ' B' ' 8' ' ' ' DC' . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' NE ' ' OP1' ' B' ' 8' ' ' ' DC' . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.611 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.707 ' HG3' ' C6 ' ' B' ' 8' ' ' ' DC' . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.752 ' HD3' ' OP2' ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.626 ' HD1' ' P ' ' C' ' 24' ' ' ' DC' . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.605 ' NH1' ' OP2' ' C' ' 25' ' ' ' DG' . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 1.294 HH12 ' P ' ' B' ' 5' ' ' ' DT' . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.635 0 C2'-C3'-O3' 113.255 0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.495 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C2'-C3'-O3' 113.391 1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.495 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.158 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.173 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 1.294 ' P ' HH12 ' A' ' 93' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.098 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.343 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.752 ' OP2' ' HD3' ' A' ' 42' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 104.971 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DC' . . . . . 0.849 ' P ' ' HD2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.511 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.557 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 104.625 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 104.261 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.51 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.37 1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . 0.51 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.839 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . 0.5 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' B' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C2'-C3'-O3' 113.772 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DA' . . . . . 0.501 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.205 1.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.475 ' H6 ' " O5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.438 0.57 0 O4'-C1'-C2' 107.053 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 114.014 1.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.462 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.53 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.356 1.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.611 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.442 0.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.511 ' N7 ' ' HD2' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.649 1.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.495 ' OP2' H2'' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.418 1.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.626 ' P ' ' HD1' ' A' ' 75' ' ' TRP . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.605 ' OP2' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C2'-C3'-O3' 114.333 1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.544 " C2'" ' H72' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 104.58 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ' DT' . . . . . 0.544 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 113.574 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 104.135 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-N19 108.581 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.447 H2'' ' OP2' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.281 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.23 1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ' DT' . . . . . 0.527 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.588 0.232 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.85 0.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 mttt 63.43 175.32 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.025 ' HE2' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER 60.39 176.79 0.09 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.006 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 5.6 t 170.27 171.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 37.5 mt-10 -62.5 -43.52 98.62 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.682 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -33.15 61.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.412 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.544 ' CG ' HH21 ' A' ' 42' ' ' ARG . 23.8 t70 -64.21 -39.19 93.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 86.8 mt -64.93 -35.26 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.007 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.82 -31.93 71.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.203 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.9 tp -55.74 -48.76 74.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -54.94 -38.81 68.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.076 0.465 . . . . 0.0 111.191 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.3 -43.02 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.632 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.19 -44.46 91.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.573 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 12' ' ' LEU . 97.9 t -62.43 -39.57 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.141 0.496 . . . . 0.0 110.21 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -65.31 -38.03 88.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.535 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -84.79 -45.01 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CE2' ' HG ' ' A' ' 15' ' ' LEU . 20.9 m-85 -85.13 -34.75 22.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 -164.58 12.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.83 24.08 12.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.413 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 -32.87 0.4 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.768 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -79.43 50.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 0.0 110.564 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -69.04 -15.55 63.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.443 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.3 pt -66.35 -28.04 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -40.31 94.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.594 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 75.4 mt -74.08 -30.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.484 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.6 m -68.12 -9.37 45.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.298 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.12 -23.11 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.409 0.623 . . . . 0.0 109.411 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 mt -95.93 -32.03 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.1 mtt -128.54 103.61 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -105.81 -13.89 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 111.634 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.95 15.55 1.78 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.119 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.566 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 25.9 ttm105 -141.81 148.24 38.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.891 0.377 . . . . 0.0 111.883 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 2.6 t-20 -63.18 122.26 74.33 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.55 -38.91 28.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.154 2.569 . . . . 0.0 113.252 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -24.14 65.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.015 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' OE1' ' HB3' ' A' ' 35' ' ' ASN . 3.8 mp0 -74.32 -28.41 61.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.706 0.289 . . . . 0.0 111.274 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 21.5 m -65.41 -34.88 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -33.92 60.62 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.133 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -58.75 -40.62 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.649 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 1.025 ' HG3' ' HE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.02 -47.86 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.82 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' HE3' HD12 ' A' ' 47' ' ' ILE . 2.0 t-105 -56.46 -47.13 79.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.227 0.537 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -68.94 -26.17 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.111 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 37.6 m-80 -107.24 10.4 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -141.78 -50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.474 HD12 ' HE3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -98.98 -16.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 112.159 -177.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.647 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 50.6 t30 -79.97 -53.72 0.94 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.085 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 35.1 Cg_endo -100.77 -165.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.671 2.248 . . . . 0.0 112.762 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.79 60.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.238 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.544 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -75.07 79.89 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.133 0.492 . . . . 0.0 111.785 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB3' ' H ' ' A' ' 53' ' ' THR . 68.6 mtp180 -145.58 -156.17 0.68 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.044 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 1.9 m 37.34 57.4 1.33 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.024 0.828 . . . . 0.0 112.608 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 71.12 162.79 0.15 Allowed Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.081 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -72.13 -148.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.515 2.144 . . . . 0.0 111.74 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HH2' ' HA ' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -83.63 163.05 20.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.146 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.14 163.03 41.73 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.233 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 65.1 Cg_exo -54.42 -23.89 33.09 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.918 2.412 . . . . 0.0 112.255 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.63 -38.8 87.69 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.46 -36.54 52.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.59 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.1 t70 -56.5 -46.15 80.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mtt -80.81 -15.6 55.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.943 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -85.05 -42.31 14.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.23 -20.76 64.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.314 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.21 -44.31 95.25 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -84.74 -38.5 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.566 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -80.53 57.94 3.04 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -171.72 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.008 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -2.3 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.913 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -107.67 -32.24 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.599 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.3 m-85 -125.69 48.19 2.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.205 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 34.58 -138.65 0.19 Allowed Glycine 0 CA--C 1.523 0.576 0 O-C-N 124.226 0.954 . . . . 0.0 114.415 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -93.02 36.46 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 12.7 mptt -78.52 55.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.23 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -50.91 -31.28 17.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -56.29 -38.2 70.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.333 0.587 . . . . 0.0 110.262 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 54.0 mmtt -84.2 -31.48 25.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.775 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 74' ' ' LYS . 26.7 mm -68.89 -36.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.633 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -64.33 -16.19 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 42.7 mttp -81.14 -24.62 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.99 -21.36 26.21 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.01 77.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.14 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.35 87.44 0.01 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.009 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 177.33 -37.35 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -116.3 156.54 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.159 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 1.8 m -113.34 178.04 4.42 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -78.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -11.26 2.26 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.433 ' HB2' HD22 ' A' ' 51' ' ' LEU . 16.3 t-20 -90.04 -46.31 8.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.794 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 86' ' ' SER . 77.8 mt -69.77 -45.93 75.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.425 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -56.73 -47.14 80.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -60.66 -48.22 82.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.264 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 1.4 mpp_? -68.28 -32.36 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.443 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 73.4 t-105 -64.07 -47.09 81.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.32 -33.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.33 -51.19 55.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.952 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.9 tp -66.96 -31.0 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.511 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.41 71.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.743 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -65.23 -27.47 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.467 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -94.66 -35.98 11.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.478 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -66.18 -38.87 89.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.299 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 0.87 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 63.64 -168.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -146.57 100.62 3.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.402 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.08 145.9 49.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -158.2 -60.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.738 179.781 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.628 0.252 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.2 m -78.02 -5.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.234 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt 60.53 -176.04 0.11 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.548 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.673 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 1.6 t80 61.88 175.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.072 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.792 HG22 ' HG2' ' A' ' 8' ' ' GLU . 14.9 t 171.17 178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.324 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -58.51 -38.64 78.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.466 0.479 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.86 -41.1 97.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.792 ' HG2' HG22 ' A' ' 5' ' ' THR . 7.1 mm-40 -66.41 -36.43 82.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.69 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.69 -45.08 95.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.31 -39.5 93.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.262 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.38 -38.1 86.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 30.2 tp -58.82 -51.72 68.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -54.54 -33.87 60.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -81.79 -42.01 20.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.714 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 30' ' ' LEU . 5.3 mp -66.3 -42.1 88.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.553 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -33.56 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 109.63 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.7 ttt -68.48 -36.31 78.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.367 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -80.28 -47.2 14.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -89.5 -31.21 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.08 -177.79 18.83 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.49 30.4 2.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.79 -37.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.677 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 26' ' ' ARG . 7.0 t0 -82.19 59.17 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.416 ' HZ3' HD11 ' A' ' 12' ' ' LEU . 93.7 m95 -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 110.472 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 pt -68.9 -32.38 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 1.1 tpp180 -68.12 -26.88 66.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.52 -20.09 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.508 0.671 . . . . 0.0 109.292 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' MET . 5.0 m -71.58 -11.8 61.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.133 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -73.06 -24.27 60.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.214 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 15' ' ' LEU . 83.3 mt -102.61 -37.85 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 28' ' ' SER . 55.8 mtm -116.1 90.66 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.498 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tp -99.34 -20.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.86 13.91 9.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.094 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.673 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 15.6 ttm105 -133.58 139.85 46.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 20.4 t-20 -62.46 113.6 9.37 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 12.5 Cg_endo -55.92 -37.03 96.51 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.343 2.695 . . . . 0.0 112.132 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ttm105 -66.87 -28.15 68.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.658 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -81.01 -16.79 52.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 36' ' ' PRO . 50.8 m -69.88 -30.6 68.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -70.31 -35.03 73.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.2 tt0 -69.17 -12.82 62.01 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -96.13 -54.02 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -42.7 76.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.969 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 48' ' ' ASN . 21.8 t30 -81.52 -5.8 58.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.619 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 19.3 m-20 -122.45 8.35 9.6 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -135.13 -53.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.09 -14.54 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 10.6 t30 -81.89 -56.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 55.7 Cg_endo -93.23 -171.53 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.139 1.893 . . . . 0.0 112.023 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.51 66.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.548 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.824 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -76.31 73.69 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.236 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' H ' ' A' ' 53' ' ' THR . 74.6 mtp180 -137.4 -157.93 0.82 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.045 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 2.4 p 38.08 57.05 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 164.62 0.12 Allowed Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.77 -158.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.506 ' CZ2' ' HB3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.889 0.376 . . . . 0.0 110.981 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.29 160.44 42.57 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.123 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 69.0 Cg_exo -54.14 -28.48 51.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.204 2.602 . . . . 0.0 112.816 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.17 -39.95 82.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.314 0.578 . . . . 0.0 109.532 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.38 -34.67 61.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.459 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -62.14 -42.42 99.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.721 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.0 mtt -71.41 -39.05 71.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.7 -37.83 76.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.137 0.494 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' HZ3' ' A' ' 75' ' ' TRP . 35.1 tp -61.31 -42.12 98.14 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.503 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.92 -40.5 69.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.784 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -70.6 -50.35 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.799 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -65.78 -24.94 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 111.826 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -76.6 -29.54 56.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.797 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.13 -24.72 37.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.203 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -92.8 -43.18 9.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -92.42 -33.96 14.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.718 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.95 -164.52 18.49 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.1 34.29 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.983 2.455 . . . . 0.0 112.31 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.45 62.58 7.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 0.0 110.485 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.473 ' HZ3' HD11 ' A' ' 64' ' ' LEU . 62.2 m95 -49.57 -30.82 9.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -58.18 -36.9 73.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.168 0.508 . . . . 0.0 109.81 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 5.7 mptp? -82.05 -36.71 27.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.975 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.23 -45.01 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.552 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -62.02 -18.14 59.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.084 0.469 . . . . 0.0 111.926 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 45.2 mttp -78.68 -22.97 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -86.45 -20.23 28.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.15 96.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.0 tttt -68.78 80.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.251 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.3 t-20 167.52 -50.68 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.908 0.755 . . . . 0.0 111.923 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.406 ' HG3' ' HD1' ' A' ' 56' ' ' TRP . 18.1 mmt180 -84.67 139.21 32.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.074 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.471 ' O ' HG13 ' A' ' 90' ' ' ILE . 4.4 p -109.65 176.66 4.99 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.231 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -71.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 2.8 t30 -54.87 -24.53 23.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -77.37 -51.69 10.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.508 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 86' ' ' SER . 62.7 mt -67.3 -44.82 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 O-C-N 123.02 0.2 . . . . 0.0 111.419 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HE ' ' HB2' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.0 -39.27 81.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.742 0.306 . . . . 0.0 111.102 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -70.41 -45.49 65.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.074 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -64.09 -42.34 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.025 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.84 -45.43 90.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.495 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.69 -37.03 85.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.71 -50.27 31.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 tp -67.83 -32.68 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.08 75.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.911 0.386 . . . . 0.0 110.386 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -68.26 -28.29 67.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.32 -35.53 23.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.484 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 3.8 tpm_? -74.84 -28.75 60.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.54 0.42 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.261 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.5 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 27.7 mmtp 55.72 -157.78 0.23 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.5 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 3.2 p80 -161.5 102.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.084 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.8 147.97 52.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -150.45 -57.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 179.807 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.28 7.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.539 0.209 . . . . 0.0 111.493 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.2 mttt 64.93 173.98 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.42 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.837 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 65.43 173.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.957 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.837 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 8.9 t 176.89 165.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.02 -34.86 75.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -59.38 -44.28 92.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.235 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -29.13 67.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.572 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.25 -45.42 94.6 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 109.178 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.67 -41.71 92.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -64.47 -40.43 95.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.439 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.95 -48.99 72.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.09 -45.19 50.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.066 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG23 ' A' ' 27' ' ' ILE . 8.3 mp -64.57 -46.33 83.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.534 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.96 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-O 121.322 0.582 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.45 -35.63 73.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.138 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -77.35 -50.47 12.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.479 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -84.57 -42.97 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.02 -175.85 16.16 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.76 35.43 2.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -134.76 -50.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.73 84.68 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 0.0 112.3 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CZ2' ' HB2' ' A' ' 40' ' ' ARG . 25.8 m95 -83.85 -9.96 58.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.103 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.94 -43.39 97.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.318 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -26.25 67.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.406 HG23 HD23 ' A' ' 15' ' ' LEU . 61.2 mt -82.84 -33.6 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -65.55 -13.72 59.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.814 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.65 -33.5 76.08 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.37 -44.43 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -92.81 87.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.906 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -94.89 -26.29 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.498 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.4 16.83 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.601 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -132.64 134.66 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.125 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HB3' ' HB2' ' A' ' 38' ' ' GLN . 1.3 t-20 -57.01 126.05 71.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.83 -42.59 56.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.741 2.294 . . . . 0.0 112.11 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 2.1 mp0 -74.06 -25.78 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 m -65.27 -29.66 70.46 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -78.95 -34.34 44.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.562 178.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.48 -43.41 93.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.391 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -44.25 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.5 -51.63 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -66.41 -20.57 66.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -107.81 -10.83 15.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -129.18 -41.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mt -93.13 -27.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.847 0.356 . . . . 0.0 111.561 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.2 t30 -79.54 -55.57 0.86 Allowed Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 47.5 Cg_endo -98.01 -179.72 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.482 2.121 . . . . 0.0 111.509 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.88 72.72 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.57 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 51' ' ' LEU . 2.5 pt? -67.17 91.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.432 0.634 . . . . 0.0 112.254 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -160.28 -149.92 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p 37.92 47.39 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 3.6 m-20 66.97 168.48 0.11 Allowed Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 60.0 Cg_endo -74.11 -149.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.024 1.816 . . . . 0.0 111.335 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.03 167.3 12.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.589 0.233 . . . . 0.0 110.416 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -90.22 166.22 20.83 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.52 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 49.7 Cg_exo -58.54 -16.41 29.71 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.652 2.235 . . . . 0.0 112.41 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.95 -43.17 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 15.3 mp0 -73.16 -35.81 66.52 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.002 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 7.2 t70 -60.5 -43.45 97.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.082 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.8 mtt -76.88 -32.21 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.058 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.15 -33.33 38.55 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 78' ' ' ILE . 1.5 mt -61.06 -41.87 97.42 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.85 -37.32 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.439 0.462 . . . . 0.0 111.223 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -70.92 -53.37 15.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -64.46 -30.73 71.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.126 0.489 . . . . 0.0 111.474 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -72.94 -29.6 63.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.61 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.08 -9.68 52.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.392 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -101.04 -50.97 3.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -87.56 -34.19 18.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.87 -171.66 18.24 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.18 63.03 6.92 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.562 2.174 . . . . 0.0 111.298 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -118.17 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 24.5 m95 -48.74 -26.0 2.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.633 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -54.15 -40.63 67.6 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.254 0.55 . . . . 0.0 109.853 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.69 -35.88 19.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.897 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.563 HG21 HD21 ' A' ' 64' ' ' LEU . 47.4 mm -60.75 -43.1 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -63.82 -15.63 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.14 0.495 . . . . 0.0 111.714 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.59 -31.3 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -84.71 -25.64 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.445 . . . . 0.0 109.805 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -111.85 88.55 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.6 tttt -69.37 82.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.985 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 6.8 t-20 -179.47 -40.88 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -110.61 151.76 27.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.148 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.491 ' O ' HG13 ' A' ' 90' ' ' ILE . 7.9 p -107.46 174.95 5.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.045 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.02 -87.25 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -23.45 28.78 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -67.86 -49.91 59.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 86' ' ' SER . 69.1 mt -67.95 -37.99 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.458 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -55.84 -52.81 62.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.859 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.47 -44.44 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 1.2 mpp_? -64.15 -44.66 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.789 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -58.58 -44.15 89.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.064 0.459 . . . . 0.0 110.612 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.8 ttt -67.74 -40.66 84.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -67.09 -45.6 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.29 -41.71 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.506 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.3 72.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 99' ' ' ARG . 3.3 ttp85 -64.82 -29.8 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.976 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.09 -26.89 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.99 -32.1 45.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.54 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.4 -8.19 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.913 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp 59.92 -159.95 0.3 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 112.175 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -160.84 115.89 2.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.446 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.55 153.74 24.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -158.31 -74.99 0.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.483 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.541 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.36 -13.44 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 66.92 161.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.194 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' O ' ' HB ' ' A' ' 5' ' ' THR . 4.4 t80 65.85 175.12 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.959 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 10.6 t 172.83 178.67 0.09 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.948 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.36 -42.66 99.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.442 0.463 . . . . 0.0 111.519 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -53.48 -48.81 68.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.794 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -31.17 67.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.878 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.78 -48.59 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.227 0.537 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.91 -37.39 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.428 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.93 -35.81 82.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.586 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 16.4 tp -56.44 -48.93 75.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.54 -37.01 69.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.478 . . . . 0.0 110.805 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.679 HD23 HG23 ' A' ' 27' ' ' ILE . 6.1 mp -69.22 -42.97 75.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.469 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.24 -31.04 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 0.0 110.117 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.9 ttt -71.26 -34.39 70.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -84.49 -46.08 11.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -94.6 -18.63 21.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.48 -160.46 21.21 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.626 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.91 30.6 7.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.05 0.453 . . . . 0.0 110.503 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -131.55 -48.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.181 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.65 66.01 4.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.284 0.564 . . . . 0.0 111.5 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' NE1' ' HD3' ' A' ' 40' ' ' ARG . 90.5 m95 -77.9 -13.39 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 8.0 mt -65.68 -38.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.251 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -25.53 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.451 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.679 HG23 HD23 ' A' ' 15' ' ' LEU . 80.1 mt -84.54 -22.76 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -79.3 1.02 26.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -74.93 -51.6 13.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.32 -30.23 60.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.46 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 mtt -108.73 92.36 4.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.645 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 tt -92.85 -33.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.103 0.478 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.36 20.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.89 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -134.03 131.21 38.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.93 126.92 82.52 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.27 -40.94 68.77 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.652 2.235 . . . . 0.0 111.895 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -68.72 -24.85 64.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.994 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.1 -28.9 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.65 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 m -66.49 -37.82 85.93 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HD3' ' NE1' ' A' ' 24' ' ' TRP . 13.1 ttp180 -67.79 -38.55 83.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.691 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 3.6 tt0 -66.33 -23.25 66.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.125 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.86 -61.3 2.02 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.491 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 2.8 t-105 -57.32 -44.94 84.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 51.3 t30 -65.86 -28.14 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 22.9 m-80 -109.44 2.94 20.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -126.86 -52.41 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -100.74 -12.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 64.3 t30 -79.83 -56.97 0.72 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 63.3 Cg_endo -94.46 -175.4 0.4 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.04 59.88 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 pt? -64.18 70.85 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.737 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -147.56 -148.1 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 38.92 55.39 2.04 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 60.8 m-20 65.04 169.78 0.1 Allowed Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.926 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.696 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 62.9 Cg_endo -74.49 -157.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.182 1.921 . . . . 0.0 111.637 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -81.43 163.09 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.552 -179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.46 166.2 31.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.604 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.43 -25.98 68.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.794 2.33 . . . . 0.0 111.075 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.05 -38.77 89.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -69.08 -39.15 79.21 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.437 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.73 -43.79 85.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.275 0.559 . . . . 0.0 110.575 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.0 mtt -72.89 -42.76 63.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.914 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.1 tp -70.9 -42.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 6.3 mt -59.3 -39.8 84.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.08 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.97 -37.77 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.085 0.469 . . . . 0.0 110.384 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 35.5 tt0 -74.85 -50.13 18.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.369 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.79 -31.39 71.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -76.38 -30.23 57.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.228 0.537 . . . . 0.0 109.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.71 -8.25 59.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.272 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 46.4 mm-40 -108.01 -51.31 2.92 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -89.48 -30.15 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.722 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.04 -141.97 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -88.27 25.96 0.61 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.817 2.345 . . . . 0.0 111.621 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -77.7 56.94 1.56 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.529 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.735 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 47.8 m95 -55.39 -22.6 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.889 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -60.89 -39.61 89.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 1.8 mptp? -85.54 -32.58 22.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.752 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.735 ' HB ' ' HA ' ' A' ' 75' ' ' TRP . 25.0 mm -60.53 -42.85 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.302 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -64.39 -14.44 56.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.021 0.439 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.651 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 32.3 mttp -83.57 -26.03 30.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.421 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -85.88 -22.99 27.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.37 0.605 . . . . 0.0 109.368 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.83 76.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 83.6 tttt -58.69 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.964 -1.017 . . . . 0.0 112.14 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.3 t-20 172.36 -44.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.768 0.668 . . . . 0.0 111.724 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -103.05 151.28 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -109.98 175.96 5.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.714 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 3.8 t30 -55.63 -20.87 15.26 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -83.41 -45.31 13.83 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.316 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.58 -49.36 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HD3' ' NE1' ' A' ' 75' ' ' TRP . 3.8 tpt85 -57.37 -38.61 74.47 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.998 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 16.0 t-20 -64.2 -53.75 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.24 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HA ' ' HB3' ' A' ' 96' ' ' MET . 1.4 tpp180 -68.12 -30.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.557 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.509 ' HZ3' ' HB3' ' A' ' 64' ' ' LEU . 69.3 t-105 -59.23 -48.53 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.6 ttt -73.64 -37.37 65.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.394 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.432 ' HB3' ' HA ' ' A' ' 93' ' ' ARG . 1.7 tmt? -62.52 -47.79 82.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.493 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.53 -24.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.085 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.56 -32.79 73.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.975 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -64.81 -25.53 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -90.7 -34.89 15.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -66.89 -35.63 80.44 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.133 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.15 -0.12 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.956 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 51.42 -145.93 0.49 Allowed 'General case' 0 CA--C 1.529 0.165 0 O-C-N 123.569 0.543 . . . . 0.0 111.996 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -166.3 142.1 4.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.75 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -116.11 152.06 34.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -148.24 -64.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.255 179.81 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.57 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.566 0.222 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 m -84.49 3.1 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 111.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 62.39 172.11 0.13 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.805 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.67 -171.8 0.15 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.347 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.902 HG22 ' HG2' ' A' ' 8' ' ' GLU . 11.2 t 172.96 179.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.82 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 111.584 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.98 -35.16 79.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.329 . . . . 0.0 111.307 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.902 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.7 mm-40 -76.81 -28.6 55.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.47 -45.55 88.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.063 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.49 -36.14 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.558 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -66.36 -34.54 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 37.2 tp -59.54 -49.63 77.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.29 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -55.72 -39.78 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.826 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.06 -45.67 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.51 -41.79 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 12' ' ' LEU . 76.0 t -64.76 -31.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.219 0.533 . . . . 0.0 110.344 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.42 -37.27 71.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -85.36 -42.5 14.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.01 -41.44 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.89 -160.57 14.02 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 24.73 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 111.074 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -126.54 -47.26 1.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.387 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.78 62.79 4.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.168 0.509 . . . . 0.0 111.708 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -73.4 -16.61 61.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 12.2 mt -60.44 -40.99 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.023 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -34.25 73.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.707 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG23 HD23 ' A' ' 15' ' ' LEU . 64.1 mt -78.77 -30.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.857 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -67.65 -16.73 64.3 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.356 0.598 . . . . 0.0 110.782 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.17 -23.47 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.621 0.724 . . . . 0.0 109.784 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.2 mt -95.15 -47.0 6.55 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.6 mtt -99.54 90.45 4.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -100.15 -13.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.426 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.7 8.93 34.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.653 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.587 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 8.3 ttm105 -134.03 143.18 47.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.836 -0.165 . . . . 0.0 110.947 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.962 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 46.4 t-20 -61.3 120.9 59.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.25 -40.98 22.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.71 2.94 . . . . 0.0 113.472 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.2 -20.21 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 7.9 mm100 -73.63 -30.13 62.78 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.183 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.87 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -74.52 -43.89 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.802 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -64.99 -24.88 67.64 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.959 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HG2' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -76.77 -56.56 4.5 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.275 179.462 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -40.36 77.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.193 0.52 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -66.38 -20.96 66.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.483 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' HD21 ' A' ' 51' ' ' LEU . 50.1 m-80 -121.03 7.65 10.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -122.5 -52.83 1.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.214 0.916 . . . . 0.0 112.927 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.0 -4.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.532 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 9.2 t30 -88.03 -55.12 0.34 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 49.9 Cg_endo -97.32 -176.45 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.442 2.095 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.3 62.35 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -73.44 78.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.3 0.572 . . . . 0.0 112.386 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.4 OUTLIER -148.25 -153.58 0.5 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.763 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 1.6 m 37.02 54.54 1.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -178.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER 67.93 163.76 0.13 Allowed Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.345 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.7 Cg_endo -71.98 -152.08 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.359 2.039 . . . . 0.0 112.245 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.84 165.63 13.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.538 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.57 163.64 38.06 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.128 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.9 Cg_exo -56.73 -18.71 27.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.048 2.498 . . . . 0.0 112.981 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.49 -43.52 72.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.28 -34.58 72.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.836 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.5 OUTLIER -58.29 -44.05 88.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.04 -37.28 64.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.761 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.63 -38.54 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.085 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.619 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.3 tt -60.73 -44.55 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.64 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.483 ' HB2' ' HH2' ' A' ' 94' ' ' TRP . 36.2 t70 -58.99 -35.92 74.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.203 0.525 . . . . 0.0 110.541 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.15 -49.98 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.48 -25.18 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -75.44 -23.62 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.732 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.71 -5.8 53.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -110.3 -46.58 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.325 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -92.2 -36.25 13.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.272 0.558 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.8 -160.61 15.36 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.7 35.2 0.56 Allowed 'Trans proline' 0 CA--C 1.527 0.129 0 C-N-CA 122.821 2.347 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -83.26 63.64 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.619 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 43.1 m95 -47.94 -35.42 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -61.12 -29.92 70.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.274 0.559 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -87.72 -36.39 17.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.302 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.57 -39.53 84.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 p -64.59 -16.21 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.139 0.495 . . . . 0.0 111.618 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 37.1 mttp -80.32 -21.33 42.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.112 0.482 . . . . 0.0 110.485 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.72 -16.89 23.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.354 0.597 . . . . 0.0 109.564 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -117.56 90.74 3.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.456 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 68.6 tttt -71.85 75.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.464 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 7.1 t-20 177.17 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 3.7 mmt180 -95.25 141.47 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 5.2 p -105.63 176.94 5.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -72.38 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.83 -24.08 34.34 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -79.65 -50.02 11.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 86' ' ' SER . 81.5 mt -62.79 -42.36 95.99 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -60.08 -48.24 82.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.44 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.91 -46.65 88.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -47.84 76.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.483 ' HH2' ' HB2' ' A' ' 65' ' ' ASP . 73.9 t-105 -60.79 -41.98 96.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.193 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 10.9 ttt -67.8 -34.93 77.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -78.08 -49.25 14.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.858 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 97' ' ' ILE . 7.9 tp -63.91 -29.2 46.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.79 70.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -73.83 -23.26 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.776 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -90.29 -31.17 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -69.54 -39.63 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.198 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.43 4.98 13.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 51.77 -150.76 0.29 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -162.1 101.98 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.718 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -58.21 149.24 24.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -154.76 -52.77 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.985 0.422 . . . . 0.0 109.956 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 179.797 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.32 10.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 mttt 60.38 -176.35 0.11 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.508 0.505 . . . . 0.0 110.876 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.555 ' O ' ' HB ' ' A' ' 5' ' ' THR . 6.3 t80 62.87 168.3 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.696 HG22 ' HG2' ' A' ' 8' ' ' GLU . 9.5 t 169.01 170.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.195 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.48 -39.04 78.88 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.348 0.405 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.2 mt-10 -59.34 -22.46 61.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.626 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 5' ' ' THR . 14.4 mm-40 -87.51 -33.77 18.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.14 -45.38 83.61 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.467 0.651 . . . . 0.0 109.452 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.92 -42.09 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.739 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 46.7 mttp -63.3 -41.35 98.96 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.65 -52.56 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.522 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -52.77 -38.61 61.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.484 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.45 -46.48 26.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 27' ' ' ILE . 7.7 mp -64.27 -48.56 75.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.53 -33.44 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 110.669 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 ttt -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -87.52 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 23.9 m-85 -89.97 -44.92 9.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.17 -165.07 15.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.027 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.36 25.83 9.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.779 0.323 . . . . 0.0 111.838 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -141.3 -31.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 37.1 t0 -80.38 49.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.482 . . . . 0.0 111.923 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -69.88 -19.84 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.277 0.56 . . . . 0.0 109.985 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.7 pt -67.0 -31.02 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.155 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -64.92 -31.52 72.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 HD23 ' A' ' 15' ' ' LEU . 54.8 mt -76.72 -27.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.411 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' MET . 3.3 m -66.76 -14.01 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.615 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.31 -36.43 81.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.355 0.598 . . . . 0.0 109.646 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 mt -93.08 -50.98 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' SER . 50.1 mtt -98.08 93.26 6.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -104.25 -9.97 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.0 110.641 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.51 18.93 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 34.5 ttm180 -145.67 147.83 32.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 1.069 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 97.9 m-20 -63.06 136.39 96.66 Favored Pre-proline 0 C--O 1.236 0.365 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.37 -38.44 82.5 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.516 2.144 . . . . 0.0 111.578 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -70.25 -22.35 62.9 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.717 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 1.069 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 8.2 mm100 -69.92 -34.24 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.011 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 22.8 m -67.23 -34.24 77.05 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 54.7 ttt180 -70.5 -37.84 74.22 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.552 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.5 tt0 -65.17 -28.06 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.735 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 1.7 mmp_? -72.5 -58.84 3.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 6.1 t-105 -56.1 -50.16 71.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 m-20 -63.33 -26.22 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 24.2 m-80 -114.29 15.07 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -140.4 -52.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.23 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.556 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -102.59 -17.08 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -177.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.698 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.5 t-20 -77.48 -57.46 1.05 Allowed Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 48.8 Cg_endo -97.27 -171.68 0.16 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.466 2.111 . . . . 0.0 112.192 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.83 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.534 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.91 73.11 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.94 179.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 35.2 mtp180 -140.01 -154.12 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.94 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 33.03 52.67 0.34 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 72.84 153.4 0.15 Allowed Pre-proline 0 N--CA 1.474 0.773 0 O-C-N 123.438 0.461 . . . . 0.0 111.696 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' TRP . 67.7 Cg_endo -74.77 -144.45 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.538 2.159 . . . . 0.0 112.369 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.483 ' H ' ' HB2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -92.09 158.32 16.27 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.278 -0.264 . . . . 0.0 110.623 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.88 169.28 12.03 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.634 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.6 Cg_exo -57.55 -16.6 24.59 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.974 2.449 . . . . 0.0 113.099 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.42 -44.2 68.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -74.15 -33.67 63.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.84 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.918 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -71.67 -35.99 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.24 -42.87 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.019 0.438 . . . . 0.0 110.372 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 6.8 tt -61.71 -39.9 93.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.69 -39.84 68.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.06 -50.82 29.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.32 -22.51 66.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.689 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -73.41 -24.7 60.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.22 0.533 . . . . 0.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.62 2.23 44.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.172 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -112.23 -53.97 2.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.692 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -93.78 -32.77 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.221 0.534 . . . . 0.0 109.671 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.36 -162.09 16.96 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.21 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.46 37.88 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.762 2.308 . . . . 0.0 111.807 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -89.32 62.29 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.171 0.51 . . . . 0.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.629 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 24.6 m95 -48.9 -28.25 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.803 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.33 -40.5 68.06 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.132 0.491 . . . . 0.0 109.75 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -83.41 -36.57 24.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.799 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.72 -43.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -66.41 -22.08 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.268 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -81.41 -29.78 33.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.45 -58.02 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.7 92.3 6.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.48 92.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.069 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.72 -72.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -103.58 167.88 9.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.058 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 p -107.02 -178.84 3.76 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.374 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -46.36 -84.13 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -29.04 28.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.58 -46.86 65.38 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.178 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.86 -42.74 86.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 tpt180 -56.9 -48.61 77.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.56 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.56 -47.06 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.254 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.0 tpp180 -64.51 -39.9 94.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.721 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -61.2 -47.4 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 0.0 110.47 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 ttt -65.58 -31.7 72.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.491 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 ttt -74.26 -50.09 20.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.049 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 tp -69.86 -30.69 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.09 91.23 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.805 0.336 . . . . 0.0 110.426 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -65.25 -26.37 68.07 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.362 0.601 . . . . 0.0 110.48 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -85.71 -32.78 21.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.763 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -72.73 -36.72 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.61 1.33 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.29 -143.36 0.73 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.809 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -164.49 125.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -80.95 147.26 30.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -164.64 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.099 0.476 . . . . 0.0 110.458 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.6 tttp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.636 0.255 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -67.7 -12.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 71.98 139.12 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.538 0.524 . . . . 0.0 111.436 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 63.62 -170.61 0.18 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.357 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.6 t 176.37 176.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.402 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 30.5 mt-10 -60.34 -42.26 95.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.36 0.413 . . . . 0.0 111.903 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.7 -41.01 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.793 ' HG2' HG22 ' A' ' 5' ' ' THR . 18.1 mm-40 -68.88 -33.28 73.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.231 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.8 -39.39 94.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.254 0.55 . . . . 0.0 109.876 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 58.0 mt -63.83 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.09 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.18 -29.59 64.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.618 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 42' ' ' ARG . 23.3 tp -56.72 -49.23 75.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.623 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -58.97 -32.01 69.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 0.0 110.513 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 84.2 mm-40 -74.8 -43.78 52.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.275 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 30' ' ' LEU . 5.9 mp -66.35 -43.81 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.747 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.58 -39.61 76.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.857 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -56.91 -28.71 62.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.883 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 14' ' ' GLN . 5.3 mtp180 -101.69 -25.9 13.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.25 -32.79 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.34 -136.97 13.2 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.943 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.57 21.55 3.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -130.78 -43.3 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.828 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.08 64.77 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HE3' HD12 ' A' ' 27' ' ' ILE . 73.4 m95 -81.68 -8.25 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.133 0.492 . . . . 0.0 109.895 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.5 mt -73.81 -29.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.966 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -26.5 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.841 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.442 HG12 HD23 ' A' ' 15' ' ' LEU . 63.1 mt -77.43 -36.94 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' MET . 7.3 m -59.2 -18.15 34.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.188 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.33 -30.47 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.236 0.541 . . . . 0.0 109.846 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 15' ' ' LEU . 65.1 mt -89.37 -48.4 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 28' ' ' SER . 3.3 ttm -112.75 101.51 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 tt -104.63 -4.8 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 0.0 111.278 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.49 13.79 14.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.84 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 34' ' ' ARG . 12.6 ptm85 -138.72 153.39 48.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.347 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.991 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 38.7 t-20 -64.76 123.97 84.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.832 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.72 -44.53 40.27 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.419 2.746 . . . . 0.0 113.04 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -65.43 -25.16 67.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.697 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.991 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 8.9 mm100 -69.1 -20.01 64.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.496 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.09 -33.26 65.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -72.09 -45.39 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.32 -24.63 66.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.09 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 12' ' ' LEU . 2.3 tpm_? -71.27 -62.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.836 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.89 -38.65 89.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.055 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 54.3 t30 -66.57 -22.41 66.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -113.95 11.78 17.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -142.93 -42.29 0.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' HB ' ' HE3' ' A' ' 43' ' ' TRP . 2.1 mt -101.18 -15.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.096 0.474 . . . . 0.0 111.72 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.717 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 62.1 t30 -87.77 -59.3 0.26 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 62.6 Cg_endo -92.6 178.67 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.356 2.038 . . . . 0.0 111.474 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.14 93.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.483 HD13 HD22 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -96.55 76.12 2.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.275 0.559 . . . . 0.0 111.188 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -127.67 -36.39 2.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 47.65 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.778 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 41.7 m-20 60.04 174.86 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.888 0.475 . . . . 0.0 111.777 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 70.6 Cg_endo -75.21 177.21 8.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.915 1.744 . . . . 0.0 110.601 177.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.56 151.54 16.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 178.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.41 166.87 37.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.306 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -54.85 -22.87 31.53 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.86 2.373 . . . . 0.0 112.705 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.58 -41.29 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.869 ' HG2' HD11 ' A' ' 82' ' ' LEU . 2.1 mp0 -74.05 -32.99 63.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.689 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.1 -43.97 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.267 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 69.6 mtm -69.2 -39.08 78.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.9 -42.34 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.595 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.9 tt -61.2 -40.03 92.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.954 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.25 -39.76 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.93 -43.17 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.05 -23.76 62.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.759 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -75.08 -31.59 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.531 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -40.65 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -89.79 -122.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -10.98 -60.44 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.73 -157.4 15.1 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.61 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.25 37.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.205 2.604 . . . . 0.0 112.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -82.21 62.62 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 6.5 m95 -45.42 -38.45 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.43 -17.09 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.375 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -100.72 -41.33 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.51 -24.88 33.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -66.39 -10.9 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.577 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 4.7 mptt -77.66 -28.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -86.29 -22.86 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.071 0.463 . . . . 0.0 110.022 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.869 HD11 ' HG2' ' A' ' 60' ' ' GLU . 1.4 mm? -110.55 83.14 1.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.724 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -64.79 86.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 154.94 -37.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.723 1.264 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -83.04 125.56 31.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.583 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 90' ' ' ILE . 10.7 p -103.13 173.3 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -70.54 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.65 -25.43 64.69 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.483 HD22 HD13 ' A' ' 51' ' ' LEU . 25.3 t-20 -70.0 -51.29 33.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.546 0.212 . . . . 0.0 110.796 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 86' ' ' SER . 52.1 mt -68.79 -37.48 77.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.71 -52.53 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.447 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -69.45 -38.81 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -64.51 -40.28 95.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -59.35 -45.26 91.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.683 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 45.0 ttm -67.53 -39.74 85.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -49.79 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.825 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 97' ' ' ILE . 5.5 tp -66.07 -33.32 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.843 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.47 87.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.33 -28.5 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.113 0.483 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -88.92 -20.51 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.264 0.554 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.1 tpm_? -86.41 -33.63 20.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.369 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -1.72 13.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.181 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 59.92 -163.32 0.24 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.969 0.414 . . . . 0.0 111.499 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -155.38 104.94 2.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.784 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -74.65 154.07 38.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.507 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -163.4 -54.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.165 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.388 179.419 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.62 0.247 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.0 -4.56 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt 65.73 172.45 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.619 0.574 . . . . 0.0 112.259 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.555 ' O ' ' HB ' ' A' ' 5' ' ' THR . 1.7 t80 63.19 178.47 0.15 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.771 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.893 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.2 t 167.73 171.77 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.33 -44.14 97.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.22 -40.93 71.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.201 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' A' ' 5' ' ' THR . 17.9 mm-40 -70.2 -31.1 68.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.549 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 42' ' ' ARG . 13.4 t70 -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.306 0.574 . . . . 0.0 110.367 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.2 -41.69 98.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.301 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -66.95 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.314 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.0 tp -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -55.98 -42.47 76.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.939 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -68.25 -45.38 73.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.66 ' HG ' ' HE2' ' A' ' 19' ' ' TYR . 8.4 mp -65.23 -42.23 93.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.04 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.8 -32.36 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.323 0.582 . . . . 0.0 110.168 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.1 ttt -69.64 -36.38 76.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.453 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -83.42 -48.65 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.66 ' HE2' ' HG ' ' A' ' 15' ' ' LEU . 93.3 m-85 -84.62 -35.14 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.85 -161.88 12.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.856 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.01 24.5 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.974 0.416 . . . . 0.0 111.244 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -136.49 -34.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.645 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -84.35 53.04 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.171 0.51 . . . . 0.0 111.993 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -69.43 -23.25 63.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.722 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.1 pt -65.9 -35.17 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -23.93 65.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.279 0.561 . . . . 0.0 109.966 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 82.3 mt -82.11 -28.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -68.75 -6.87 29.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.18 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -73.23 -26.92 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.35 -36.09 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.0 mtt -101.62 83.83 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -94.73 -15.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.919 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.99 24.54 5.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 35.3 ttm105 -143.98 142.74 30.88 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.217 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.757 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -62.73 132.63 94.73 Favored Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.41 -36.76 70.64 Favored 'Trans proline' 0 N--CA 1.473 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 111.509 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 mtm105 -75.4 -18.57 59.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.05 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.757 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.88 -38.17 76.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 43.2 m -64.1 -36.69 84.85 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -67.73 -42.59 81.66 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.648 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.01 -29.78 70.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 9' ' ' ASP . 5.7 mmm180 -71.22 -57.62 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.312 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -58.7 -49.08 78.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -62.43 -20.84 64.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.371 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.5 23.73 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.656 ' HA ' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -156.47 -45.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -26.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 6.1 t30 -76.42 -57.44 1.33 Allowed Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 64.4 Cg_endo -94.6 -173.4 0.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.154 1.903 . . . . 0.0 111.949 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.14 58.53 0.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -67.3 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.757 . . . . 0.0 112.361 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -147.07 -145.88 0.18 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 41.65 48.4 3.58 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 6.8 m-20 64.35 171.83 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.653 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.6 Cg_endo -72.18 -159.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.032 1.822 . . . . 0.0 112.08 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -83.73 166.25 18.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.18 164.5 21.23 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.1 Cg_exo -57.12 -17.62 25.93 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.57 -41.68 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -74.52 -39.2 62.53 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.4 t70 -54.99 -42.05 72.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.2 mtt -77.78 -42.04 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.163 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.5 -44.53 64.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.59 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.748 HD21 HG21 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -58.96 -39.91 83.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.746 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.63 -35.74 61.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 3.4 tt0 -77.79 -50.73 11.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.43 -27.02 68.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -76.47 -24.54 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.575 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.29 -5.43 58.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 54.6 mm-40 -105.0 -53.85 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -88.24 -29.4 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.638 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.69 -158.37 17.15 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.96 32.89 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.965 2.444 . . . . 0.0 111.733 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -82.67 61.12 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.422 ' HZ3' ' CD2' ' A' ' 64' ' ' LEU . 36.9 m95 -52.06 -31.07 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.537 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -78.81 -34.03 45.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.748 HG21 HD21 ' A' ' 64' ' ' LEU . 41.8 mm -71.14 -38.41 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.107 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -61.11 -14.97 28.12 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -74.61 -17.85 60.65 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -100.36 -13.47 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.158 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -121.27 83.1 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 69.2 tttt -67.51 83.71 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.933 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 23.0 t-20 166.64 -39.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.954 0.784 . . . . 0.0 111.136 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 56' ' ' TRP . 22.2 mmt180 -97.77 135.52 39.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.374 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 p -105.57 174.74 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -55.24 -26.41 39.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.51 -52.26 16.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.39 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.17 -44.15 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -57.24 -49.11 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -48.57 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 12.5 tpp180 -68.79 -38.47 80.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.415 ' HA ' HG22 ' A' ' 97' ' ' ILE . 68.3 t-105 -62.33 -45.28 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.987 0.423 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.3 ttt -65.35 -23.56 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.722 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -49.06 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.381 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.421 HG21 ' HZ3' ' A' ' 56' ' ' TRP . 10.0 tp -65.41 -33.19 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.51 -33.37 72.52 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.009 0.433 . . . . 0.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -67.47 -23.98 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.645 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -89.01 -40.47 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.972 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -68.58 -34.15 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.737 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.25 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.451 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 49.66 -147.38 0.33 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.32 110.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.75 160.18 33.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -152.34 -64.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.434 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.17 179.706 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.57 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.588 0.232 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -88.85 0.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.597 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 41.6 mttt 63.43 175.32 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.025 ' HE2' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER 60.39 176.79 0.09 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.006 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 5.6 t 170.27 171.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 37.5 mt-10 -62.5 -43.52 98.62 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.682 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -33.15 61.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.412 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.544 ' CG ' HH21 ' A' ' 42' ' ' ARG . 23.8 t70 -64.21 -39.19 93.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.199 0.523 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 86.8 mt -64.93 -35.26 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.007 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -68.82 -31.93 71.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.203 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.9 tp -55.74 -48.76 74.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -54.94 -38.81 68.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.076 0.465 . . . . 0.0 111.191 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.3 -43.02 64.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.632 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.19 -44.46 91.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.573 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 12' ' ' LEU . 97.9 t -62.43 -39.57 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.141 0.496 . . . . 0.0 110.21 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -65.31 -38.03 88.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.535 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -84.79 -45.01 12.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CE2' ' HG ' ' A' ' 15' ' ' LEU . 20.9 m-85 -85.13 -34.75 22.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.57 -164.58 12.32 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.83 24.08 12.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.966 0.413 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 -32.87 0.4 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.768 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -79.43 50.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 0.0 110.564 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -69.04 -15.55 63.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.443 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.3 pt -66.35 -28.04 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.687 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -40.31 94.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.594 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 75.4 mt -74.08 -30.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.484 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.6 m -68.12 -9.37 45.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.298 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -84.12 -23.11 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.409 0.623 . . . . 0.0 109.411 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 mt -95.93 -32.03 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' SER . 44.1 mtt -128.54 103.61 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -105.81 -13.89 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 111.634 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.95 15.55 1.78 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.119 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.587 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 25.9 ttm105 -141.81 148.24 38.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.891 0.377 . . . . 0.0 111.883 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 2.6 t-20 -63.18 122.26 74.33 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.55 -38.91 28.96 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.154 2.569 . . . . 0.0 113.252 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.599 ' HD3' " C2'" ' C' ' 21' ' ' ' DT' . 0.2 OUTLIER -67.1 -24.14 65.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.015 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' OE1' ' HB3' ' A' ' 35' ' ' ASN . 3.8 mp0 -74.32 -28.41 61.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.706 0.289 . . . . 0.0 111.274 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 21.5 m -65.41 -34.88 79.35 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -33.92 60.62 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.133 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -58.75 -40.62 84.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.649 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 1.025 ' HG3' ' HE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.02 -47.86 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.82 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' HE3' HD12 ' A' ' 47' ' ' ILE . 2.0 t-105 -56.46 -47.13 79.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.227 0.537 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -68.94 -26.17 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.057 -0.974 . . . . 0.0 113.111 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 37.6 m-80 -107.24 10.4 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -141.78 -50.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.474 HD12 ' HE3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -98.98 -16.19 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 112.159 -177.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.647 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 50.6 t30 -79.97 -53.72 0.94 Allowed Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.085 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 35.1 Cg_endo -100.77 -165.0 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.671 2.248 . . . . 0.0 112.762 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.79 60.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.238 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.544 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -75.07 79.89 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.133 0.492 . . . . 0.0 111.785 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HB3' ' H ' ' A' ' 53' ' ' THR . 68.6 mtp180 -145.58 -156.17 0.68 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.044 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 1.9 m 37.34 57.4 1.33 Allowed 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.024 0.828 . . . . 0.0 112.608 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 71.12 162.79 0.15 Allowed Pre-proline 0 N--CA 1.47 0.552 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.081 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -72.13 -148.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.515 2.144 . . . . 0.0 111.74 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HH2' ' HA ' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -83.63 163.05 20.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.146 -179.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.14 163.03 41.73 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.233 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 65.1 Cg_exo -54.42 -23.89 33.09 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.918 2.412 . . . . 0.0 112.255 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.63 -38.8 87.69 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.46 -36.54 52.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.59 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.1 t70 -56.5 -46.15 80.65 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.7 mtt -80.81 -15.6 55.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.943 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -85.05 -42.31 14.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.23 -20.76 64.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.314 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.21 -44.31 95.25 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -84.74 -38.5 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.566 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -80.53 57.94 3.04 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -171.72 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.008 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -2.3 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.913 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -107.67 -32.24 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.464 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 38.3 m-85 -125.69 48.19 2.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.205 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 34.58 -138.65 0.19 Allowed Glycine 0 CA--C 1.523 0.576 0 O-C-N 124.226 0.954 . . . . 0.0 114.415 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -93.02 36.46 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 71' ' ' TYR . 12.7 mptt -78.52 55.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.23 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -50.91 -31.28 17.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -56.29 -38.2 70.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.333 0.587 . . . . 0.0 110.262 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 54.0 mmtt -84.2 -31.48 25.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.775 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 74' ' ' LYS . 26.7 mm -68.89 -36.73 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.633 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -64.33 -16.19 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 42.7 mttp -81.14 -24.62 37.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.99 -21.36 26.21 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.01 77.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.14 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.35 87.44 0.01 OUTLIER 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.009 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 177.33 -37.35 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -116.3 156.54 26.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.159 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.52 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 1.8 m -113.34 178.04 4.42 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -78.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -11.26 2.26 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' HB2' HD22 ' A' ' 51' ' ' LEU . 16.3 t-20 -90.04 -46.31 8.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.794 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 86' ' ' SER . 77.8 mt -69.77 -45.93 75.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.425 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -56.73 -47.14 80.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -60.66 -48.22 82.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.264 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.496 HH12 " H3'" ' B' ' 5' ' ' ' DT' . 1.4 mpp_? -68.28 -32.36 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.443 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 73.4 t-105 -64.07 -47.09 81.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.259 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.32 -33.98 76.4 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.33 -51.19 55.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.952 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.9 tp -66.96 -31.0 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.511 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.41 71.47 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.743 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -65.23 -27.47 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.08 0.467 . . . . 0.0 110.748 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -94.66 -35.98 11.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.478 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -66.18 -38.87 89.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.299 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 0.87 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 63.64 -168.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -146.57 100.62 3.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.402 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.08 145.9 49.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -158.2 -60.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.738 179.781 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.635 0 C2'-C3'-O3' 113.255 0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.495 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C2'-C3'-O3' 113.391 1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.495 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.158 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.173 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.509 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.098 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.343 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.561 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 104.971 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.597 H5'' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.511 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.587 ' OP2' ' HA ' ' A' ' 34' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 104.625 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 104.261 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.51 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.37 1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.51 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.839 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.5 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' B' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C2'-C3'-O3' 113.772 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.501 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.205 1.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.475 ' H6 ' " O5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.438 0.57 0 O4'-C1'-C2' 107.053 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 114.014 1.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.462 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.619 " C2'" ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.356 1.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.619 ' H71' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.442 0.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.495 H2'' ' OP2' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.649 1.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.495 ' OP2' H2'' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.418 1.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.597 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.597 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C2'-C3'-O3' 114.333 1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.544 " C2'" ' H72' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 104.58 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.544 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 113.574 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 104.135 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-N19 108.581 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.447 H2'' ' OP2' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.281 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.23 1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.527 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.628 0.252 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.2 m -78.02 -5.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.234 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt 60.53 -176.04 0.11 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.548 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.673 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 1.6 t80 61.88 175.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.072 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.792 HG22 ' HG2' ' A' ' 8' ' ' GLU . 14.9 t 171.17 178.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.324 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -58.51 -38.64 78.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.466 0.479 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.86 -41.1 97.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.039 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.792 ' HG2' HG22 ' A' ' 5' ' ' THR . 7.1 mm-40 -66.41 -36.43 82.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.69 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.69 -45.08 95.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.681 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.31 -39.5 93.23 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.262 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -66.38 -38.1 86.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.152 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 30.2 tp -58.82 -51.72 68.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.671 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -54.54 -33.87 60.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.435 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -81.79 -42.01 20.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.714 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 30' ' ' LEU . 5.3 mp -66.3 -42.1 88.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.553 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.98 -33.56 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 109.63 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.7 ttt -68.48 -36.31 78.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.367 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -80.28 -47.2 14.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -89.5 -31.21 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.08 -177.79 18.83 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.49 30.4 2.9 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -138.79 -37.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.677 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 26' ' ' ARG . 7.0 t0 -82.19 59.17 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.416 ' HZ3' HD11 ' A' ' 12' ' ' LEU . 93.7 m95 -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 110.472 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 pt -68.9 -32.38 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 1.1 tpp180 -68.12 -26.88 66.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.039 0.447 . . . . 0.0 110.178 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.6 mt -79.52 -20.09 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.508 0.671 . . . . 0.0 109.292 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 31' ' ' MET . 5.0 m -71.58 -11.8 61.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.133 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -73.06 -24.27 60.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.214 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 15' ' ' LEU . 83.3 mt -102.61 -37.85 7.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 28' ' ' SER . 55.8 mtm -116.1 90.66 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.066 -0.97 . . . . 0.0 108.498 177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 tp -99.34 -20.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.568 0.699 . . . . 0.0 110.561 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.86 13.91 9.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.094 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.673 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 15.6 ttm105 -133.58 139.85 46.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 20.4 t-20 -62.46 113.6 9.37 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.427 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 12.5 Cg_endo -55.92 -37.03 96.51 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.343 2.695 . . . . 0.0 112.132 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.525 HH12 ' N6 ' ' B' ' 10' ' ' ' DA' . 15.2 ttm105 -66.87 -28.15 68.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.658 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' HG3' ' N7 ' ' B' ' 9' ' ' ' DG' . 3.5 mm100 -81.01 -16.79 52.41 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 36' ' ' PRO . 50.8 m -69.88 -30.6 68.09 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -70.31 -35.03 73.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.2 tt0 -69.17 -12.82 62.01 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.714 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.642 ' HD2' ' OP2' ' B' ' 8' ' ' ' DC' . 0.0 OUTLIER -96.13 -54.02 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -42.7 76.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.969 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 48' ' ' ASN . 21.8 t30 -81.52 -5.8 58.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.619 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 19.3 m-20 -122.45 8.35 9.6 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -135.13 -53.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 pt -103.09 -14.54 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 10.6 t30 -81.89 -56.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 55.7 Cg_endo -93.23 -171.53 0.3 Allowed 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 122.139 1.893 . . . . 0.0 112.023 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.51 66.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.548 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.824 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -76.31 73.69 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.236 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' H ' ' A' ' 53' ' ' THR . 74.6 mtp180 -137.4 -157.93 0.82 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.045 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 52' ' ' ARG . 2.4 p 38.08 57.05 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.2 164.62 0.12 Allowed Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.77 -158.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.489 2.126 . . . . 0.0 112.23 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.506 ' CZ2' ' HB3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -80.36 166.96 20.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.889 0.376 . . . . 0.0 110.981 -179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.29 160.44 42.57 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.123 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 69.0 Cg_exo -54.14 -28.48 51.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.204 2.602 . . . . 0.0 112.816 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.17 -39.95 82.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.314 0.578 . . . . 0.0 109.532 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -75.38 -34.67 61.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.459 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -62.14 -42.42 99.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.721 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.0 mtt -71.41 -39.05 71.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 tp -69.7 -37.83 76.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.137 0.494 . . . . 0.0 109.98 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' HZ3' ' A' ' 75' ' ' TRP . 35.1 tp -61.31 -42.12 98.14 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.503 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.92 -40.5 69.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.784 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -70.6 -50.35 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.799 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -65.78 -24.94 67.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 111.826 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -76.6 -29.54 56.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.797 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.13 -24.72 37.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.203 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -92.8 -43.18 9.15 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -92.42 -33.96 14.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.718 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.95 -164.52 18.49 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.1 34.29 0.42 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.983 2.455 . . . . 0.0 112.31 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -86.45 62.58 7.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.121 0.486 . . . . 0.0 110.485 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.473 ' HZ3' HD11 ' A' ' 64' ' ' LEU . 62.2 m95 -49.57 -30.82 9.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.687 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 7.6 t-20 -58.18 -36.9 73.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.168 0.508 . . . . 0.0 109.81 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 5.7 mptp? -82.05 -36.71 27.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.975 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.23 -45.01 99.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.552 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -62.02 -18.14 59.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.084 0.469 . . . . 0.0 111.926 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 45.2 mttp -78.68 -22.97 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -86.45 -20.23 28.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.39 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.15 96.23 5.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.0 tttt -68.78 80.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.251 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.3 t-20 167.52 -50.68 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.908 0.755 . . . . 0.0 111.923 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.406 ' HG3' ' HD1' ' A' ' 56' ' ' TRP . 18.1 mmt180 -84.67 139.21 32.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.074 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.471 ' O ' HG13 ' A' ' 90' ' ' ILE . 4.4 p -109.65 176.66 4.99 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.231 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -71.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 2.8 t30 -54.87 -24.53 23.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -77.37 -51.69 10.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.508 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 86' ' ' SER . 62.7 mt -67.3 -44.82 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 O-C-N 123.02 0.2 . . . . 0.0 111.419 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' NH2' " H3'" ' C' ' 24' ' ' ' DC' . 0.0 OUTLIER -59.0 -39.27 81.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.742 0.306 . . . . 0.0 111.102 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -70.41 -45.49 65.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.074 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.506 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -64.09 -42.34 96.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.025 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -58.84 -45.43 90.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.495 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.69 -37.03 85.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -71.71 -50.27 31.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.9 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 tp -67.83 -32.68 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.08 75.59 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.911 0.386 . . . . 0.0 110.386 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -68.26 -28.29 67.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.619 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -84.32 -35.53 23.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 0.0 110.484 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 101' ' ' ARG . 3.8 tpm_? -74.84 -28.75 60.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.206 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.54 0.42 20.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.261 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.5 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 27.7 mmtp 55.72 -157.78 0.23 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.5 ' H ' ' HB3' ' A' ' 103' ' ' LYS . 3.2 p80 -161.5 102.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.084 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -65.8 147.97 52.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -150.45 -57.78 0.18 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 179.807 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.467 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.796 0 C2'-C3'-O3' 113.51 1.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.476 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.751 0 O4'-C1'-C2' 107.218 1.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.506 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.204 1.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.506 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.154 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.473 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.234 1.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.441 H2'' ' OP2' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 104.621 1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.441 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 C3'-C2'-C1' 104.913 1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.642 ' OP2' ' HD2' ' A' ' 42' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 105.033 1.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.68 ' N7 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.908 1.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.525 ' N6 ' HH12 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.487 1.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.491 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 104.169 1.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.482 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.482 1.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.494 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-N19 108.993 1.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.336 1.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.473 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 C2'-C3'-O3' 113.589 1.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.44 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.22 1.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.444 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.644 0 C2'-C3'-O3' 113.223 0.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.444 ' OP2' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.778 0 C2'-C3'-O3' 113.613 1.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.19 -1.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.508 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.638 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.508 ' H71' HH21 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.564 " H2'" ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.517 1.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.687 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 104.439 1.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.475 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C3'-C2'-C1' 104.846 1.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.572 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 104.948 1.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.572 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 104.057 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.436 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C2'-C3'-O3' 113.44 1.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.447 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.494 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 108.794 1.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.494 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 107.436 1.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.162 0.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.051 0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m -91.28 7.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.539 0.209 . . . . 0.0 111.493 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.626 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 62.2 mttt 64.93 173.98 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.42 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.837 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 65.43 173.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.957 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.837 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 8.9 t 176.89 165.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -61.02 -34.86 75.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -59.38 -44.28 92.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.235 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -29.13 67.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.572 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.25 -45.42 94.6 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.56 0.695 . . . . 0.0 109.178 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.67 -41.71 92.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -64.47 -40.43 95.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.439 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.95 -48.99 72.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -74.09 -45.19 50.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.066 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG23 ' A' ' 27' ' ' ILE . 8.3 mp -64.57 -46.33 83.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.534 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.96 -29.0 45.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-O 121.322 0.582 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.45 -35.63 73.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.138 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -77.35 -50.47 12.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.479 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -84.57 -42.97 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.02 -175.85 16.16 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.76 35.43 2.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -134.76 -50.21 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.73 84.68 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.482 0.658 . . . . 0.0 112.3 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CZ2' ' HB2' ' A' ' 40' ' ' ARG . 25.8 m95 -83.85 -9.96 58.37 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.103 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.94 -43.39 97.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.318 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -26.25 67.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.406 HG23 HD23 ' A' ' 15' ' ' LEU . 61.2 mt -82.84 -33.6 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -65.55 -13.72 59.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.814 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.65 -33.5 76.08 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -95.37 -44.43 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.9 mtt -92.81 87.34 5.8 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.364 -0.835 . . . . 0.0 108.906 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -94.89 -26.29 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.498 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.4 16.83 6.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.601 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 ttm105 -132.64 134.66 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.125 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HB3' ' HB2' ' A' ' 38' ' ' GLN . 1.3 t-20 -57.01 126.05 71.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.83 -42.59 56.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.741 2.294 . . . . 0.0 112.11 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' HD3' ' C6 ' ' C' ' 21' ' ' ' DT' . 36.3 mtm105 -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 2.1 mp0 -74.06 -25.78 60.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 m -65.27 -29.66 70.46 Favored 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.446 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -78.95 -34.34 44.46 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.562 178.401 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.48 -43.41 93.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.391 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -44.25 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.5 -51.63 69.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -66.41 -20.57 66.1 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -107.81 -10.83 15.5 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -129.18 -41.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.1 mt -93.13 -27.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.847 0.356 . . . . 0.0 111.561 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.2 t30 -79.54 -55.57 0.86 Allowed Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 47.5 Cg_endo -98.01 -179.72 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.482 2.121 . . . . 0.0 111.509 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.88 72.72 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.57 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 51' ' ' LEU . 2.5 pt? -67.17 91.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.432 0.634 . . . . 0.0 112.254 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -160.28 -149.92 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.456 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p 37.92 47.39 0.89 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.625 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 3.6 m-20 66.97 168.48 0.11 Allowed Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 60.0 Cg_endo -74.11 -149.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.024 1.816 . . . . 0.0 111.335 178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.03 167.3 12.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.589 0.233 . . . . 0.0 110.416 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -90.22 166.22 20.83 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.52 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 49.7 Cg_exo -58.54 -16.41 29.71 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.652 2.235 . . . . 0.0 112.41 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.95 -43.17 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 15.3 mp0 -73.16 -35.81 66.52 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.002 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 7.2 t70 -60.5 -43.45 97.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.082 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.8 mtt -76.88 -32.21 57.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.058 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.15 -33.33 38.55 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 78' ' ' ILE . 1.5 mt -61.06 -41.87 97.42 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.798 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -53.85 -37.32 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.439 0.462 . . . . 0.0 111.223 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -70.92 -53.37 15.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -64.46 -30.73 71.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.126 0.489 . . . . 0.0 111.474 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -72.94 -29.6 63.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.61 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.08 -9.68 52.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.392 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -101.04 -50.97 3.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.808 0.337 . . . . 0.0 111.337 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -87.56 -34.19 18.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.87 -171.66 18.24 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.18 63.03 6.92 Favored 'Trans proline' 0 CA--C 1.529 0.232 0 C-N-CA 122.562 2.174 . . . . 0.0 111.298 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -118.17 66.51 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.129 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 24.5 m95 -48.74 -26.0 2.11 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.633 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -54.15 -40.63 67.6 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.254 0.55 . . . . 0.0 109.853 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -86.69 -35.88 19.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.897 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.563 HG21 HD21 ' A' ' 64' ' ' LEU . 47.4 mm -60.75 -43.1 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -63.82 -15.63 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.14 0.495 . . . . 0.0 111.714 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -81.59 -31.3 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -84.71 -25.64 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.445 . . . . 0.0 109.805 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -111.85 88.55 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.342 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 79.6 tttt -69.37 82.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.985 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 6.8 t-20 -179.47 -40.88 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -110.61 151.76 27.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.148 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.491 ' O ' HG13 ' A' ' 90' ' ' ILE . 7.9 p -107.46 174.95 5.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.045 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.02 -87.25 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -23.45 28.78 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -67.86 -49.91 59.49 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 86' ' ' SER . 69.1 mt -67.95 -37.99 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.458 HH11 ' HD3' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -55.84 -52.81 62.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.859 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -64.47 -44.44 91.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.637 HH12 " H3'" ' B' ' 5' ' ' ' DT' . 1.2 mpp_? -64.15 -44.66 91.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.789 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -58.58 -44.15 89.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.064 0.459 . . . . 0.0 110.612 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.8 ttt -67.74 -40.66 84.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.976 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -67.09 -45.6 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.29 -41.71 92.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.506 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.3 72.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.985 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 99' ' ' ARG . 3.3 ttp85 -64.82 -29.8 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.0 110.976 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -91.09 -26.89 18.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.99 -32.1 45.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.54 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.4 -8.19 52.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.913 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp 59.92 -159.95 0.3 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 112.175 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -160.84 115.89 2.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.446 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -83.55 153.74 24.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.666 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -158.31 -74.99 0.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.483 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.541 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.624 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.448 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.267 1.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.537 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.095 0.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.537 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.135 -1.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.637 " H3'" HH12 ' A' ' 93' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C3'-C2'-C1' 104.001 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.626 0 C3'-C2'-C1' 104.31 1.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.486 H2'' ' OP2' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 104.656 1.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.626 H5'' ' HB2' ' A' ' 3' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 104.697 1.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.537 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 104.53 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 104.549 1.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.461 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.161 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.504 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.33 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.504 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.975 1.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.496 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.468 ' OP2' H2'' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C2'-C3'-O3' 113.185 0.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.427 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.571 0 O4'-C1'-C2' 107.193 0.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.42 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.438 0.501 0 O4'-C1'-C2' 107.058 0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.471 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C2'-C3'-O3' 114.14 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.471 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.44 0.68 0 O4'-C1'-N19 108.576 0.97 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.449 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.753 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.55 ' C6 ' ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.121 0.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.497 H2'' ' OP2' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.773 0 O4'-C1'-C2' 107.561 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.397 1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.661 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 C3'-C2'-C1' 104.326 1.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.661 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C2'-C3'-O3' 114.399 1.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.58 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.101 1.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.521 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C2'-C3'-O3' 113.395 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.467 ' OP2' H2'' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C3'-C2'-C1' 104.007 0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.535 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.728 1.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.535 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.25 1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.519 ' H72' " C2'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 107.229 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O4'-C1'-C2' 106.99 0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.481 ' HE2' H5'' ' C' ' 28' ' ' ' DA' . 0.3 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.404 HG12 " H4'" ' C' ' 28' ' ' ' DA' . 35.6 m -76.36 -13.44 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.5 mttt 66.92 161.32 0.16 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.194 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB2' ' OP1' ' B' ' 8' ' ' ' DC' . 4.4 t80 65.85 175.12 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.959 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 10.6 t 172.83 178.67 0.09 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.948 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.36 -42.66 99.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.442 0.463 . . . . 0.0 111.519 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -53.48 -48.81 68.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.794 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -31.17 67.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.878 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.78 -48.59 81.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.227 0.537 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.91 -37.39 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.428 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.93 -35.81 82.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.586 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD11 ' HZ3' ' A' ' 24' ' ' TRP . 16.4 tp -56.44 -48.93 75.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.54 -37.01 69.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.167 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.478 . . . . 0.0 110.805 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.679 HD23 HG23 ' A' ' 27' ' ' ILE . 6.1 mp -69.22 -42.97 75.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.469 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.24 -31.04 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.267 0.556 . . . . 0.0 110.117 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.9 ttt -71.26 -34.39 70.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 110.475 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -84.49 -46.08 11.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -94.6 -18.63 21.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.48 -160.46 21.21 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.626 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.91 30.6 7.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.05 0.453 . . . . 0.0 110.503 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -131.55 -48.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.181 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -79.65 66.01 4.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.284 0.564 . . . . 0.0 111.5 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.449 ' NE1' ' HD3' ' A' ' 40' ' ' ARG . 90.5 m95 -77.9 -13.39 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' H ' HG13 ' A' ' 25' ' ' ILE . 8.0 mt -65.68 -38.1 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.251 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -25.53 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.451 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.679 HG23 HD23 ' A' ' 15' ' ' LEU . 80.1 mt -84.54 -22.76 7.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -79.3 1.02 26.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -74.93 -51.6 13.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.32 -30.23 60.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.46 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.5 mtt -108.73 92.36 4.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.645 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 tt -92.85 -33.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.103 0.478 . . . . 0.0 111.108 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.36 20.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.89 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -134.03 131.21 38.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.93 126.92 82.52 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.27 -40.94 68.77 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.652 2.235 . . . . 0.0 111.895 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.709 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.9 OUTLIER -68.72 -24.85 64.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.994 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.1 -28.9 61.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.65 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 m -66.49 -37.82 85.93 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' HD3' ' NE1' ' A' ' 24' ' ' TRP . 13.1 ttp180 -67.79 -38.55 83.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.691 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 3.6 tt0 -66.33 -23.25 66.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.125 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -76.86 -61.3 2.02 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.491 -179.408 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 2.8 t-105 -57.32 -44.94 84.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.227 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 51.3 t30 -65.86 -28.14 68.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 22.9 m-80 -109.44 2.94 20.88 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -126.86 -52.41 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -100.74 -12.99 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -177.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.655 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 64.3 t30 -79.83 -56.97 0.72 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 63.3 Cg_endo -94.46 -175.4 0.4 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.04 59.88 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.451 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 pt? -64.18 70.85 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.737 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -147.56 -148.1 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 38.92 55.39 2.04 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.696 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 60.8 m-20 65.04 169.78 0.1 Allowed Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.926 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.696 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 62.9 Cg_endo -74.49 -157.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.182 1.921 . . . . 0.0 111.637 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -81.43 163.09 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.552 -179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.46 166.2 31.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.604 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.43 -25.98 68.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.794 2.33 . . . . 0.0 111.075 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -66.05 -38.77 89.21 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -69.08 -39.15 79.21 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.437 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.73 -43.79 85.58 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.275 0.559 . . . . 0.0 110.575 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.0 mtt -72.89 -42.76 63.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.914 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.1 tp -70.9 -42.98 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.247 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 6.3 mt -59.3 -39.8 84.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.08 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.97 -37.77 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.085 0.469 . . . . 0.0 110.384 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 35.5 tt0 -74.85 -50.13 18.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.369 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.79 -31.39 71.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -76.38 -30.23 57.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.228 0.537 . . . . 0.0 109.834 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.71 -8.25 59.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.272 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 46.4 mm-40 -108.01 -51.31 2.92 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -89.48 -30.15 18.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.722 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.04 -141.97 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -88.27 25.96 0.61 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.817 2.345 . . . . 0.0 111.621 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -77.7 56.94 1.56 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 111.529 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.735 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 47.8 m95 -55.39 -22.6 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.889 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -60.89 -39.61 89.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.651 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 1.8 mptp? -85.54 -32.58 22.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.752 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.735 ' HB ' ' HA ' ' A' ' 75' ' ' TRP . 25.0 mm -60.53 -42.85 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.302 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 p -64.39 -14.44 56.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.021 0.439 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.651 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 32.3 mttp -83.57 -26.03 30.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.421 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -85.88 -22.99 27.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.37 0.605 . . . . 0.0 109.368 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -119.83 76.5 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.028 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 83.6 tttt -58.69 89.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.964 -1.017 . . . . 0.0 112.14 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.3 t-20 172.36 -44.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.768 0.668 . . . . 0.0 111.724 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -103.05 151.28 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -109.98 175.96 5.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.714 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -75.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 92' ' ' ASN . 3.8 t30 -55.63 -20.87 15.26 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -83.41 -45.31 13.83 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.735 -0.211 . . . . 0.0 111.316 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.58 -49.36 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HD3' ' NE1' ' A' ' 75' ' ' TRP . 3.8 tpt85 -57.37 -38.61 74.47 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.998 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 16.0 t-20 -64.2 -53.75 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.24 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HA ' ' HB3' ' A' ' 96' ' ' MET . 1.4 tpp180 -68.12 -30.5 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.557 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.509 ' HZ3' ' HB3' ' A' ' 64' ' ' LEU . 69.3 t-105 -59.23 -48.53 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.6 ttt -73.64 -37.37 65.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.394 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.432 ' HB3' ' HA ' ' A' ' 93' ' ' ARG . 1.7 tmt? -62.52 -47.79 82.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.493 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.53 -24.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.085 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.56 -32.79 73.81 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.975 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -64.81 -25.53 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.451 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -90.7 -34.89 15.22 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -66.89 -35.63 80.44 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.133 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.15 -0.12 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.956 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 51.42 -145.93 0.49 Allowed 'General case' 0 CA--C 1.529 0.165 0 O-C-N 123.569 0.543 . . . . 0.0 111.996 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -166.3 142.1 4.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.75 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -116.11 152.06 34.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.175 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -148.24 -64.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.255 179.81 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.441 0.746 0 C4'-C3'-C2' 102.162 -1.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.362 1.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.509 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.226 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.472 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 102.072 -1.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.108 0.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.556 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 104.561 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.556 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 105.076 1.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.641 ' OP1' ' HB2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 104.65 1.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.526 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 105.023 1.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.622 H2'' ' H71' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 104.352 1.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.622 ' H71' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 104.336 1.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.454 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 107.272 1.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.509 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-N19 108.715 1.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.509 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 N19-C1'-C2' 116.089 1.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.438 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C2'-C3'-O3' 113.371 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.431 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 O4'-C1'-C2' 107.231 1.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-C2' 107.08 0.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.429 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C2'-C3'-O3' 113.7 1.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C2'-C3'-O3' 113.449 1.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.498 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.441 0.733 0 O4'-C1'-C2' 107.33 1.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.709 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 P-O3'-C3' 120.654 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.524 " H2'" ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 104.709 1.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.524 ' H72' " H2'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 104.256 1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.585 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.73 1.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.585 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 104.858 1.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.57 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 104.27 1.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.494 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C2'-C3'-O3' 112.989 0.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.481 H5'' ' HE2' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 C2'-C3'-O3' 113.198 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.482 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.666 1.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.482 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.243 1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.441 H2'' ' OP2' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-C2' 107.414 1.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.441 ' OP2' H2'' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 N19-C1'-C2' 115.617 0.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.552 ' HG2' " O3'" ' C' ' 28' ' ' ' DA' . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HD1' ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.654 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.645 ' HG3' ' C6 ' ' B' ' 8' ' ' ' DC' . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.57 HH21 ' CG ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.451 ' HA ' ' HB ' ' A' ' 78' ' ' ILE . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.459 ' HD2' ' HA ' ' A' ' 91' ' ' ARG . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.417 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.526 0 C2'-C3'-O3' 113.483 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.543 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.796 0 O4'-C1'-C2' 107.347 1.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.543 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.442 0.813 0 O4'-C1'-C2' 107.231 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.119 -1.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.47 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.124 0.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.553 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-C2' 107.442 1.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.553 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C2'-C3'-O3' 114.641 1.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.645 ' C6 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 104.503 1.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.539 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C3'-C2'-C1' 104.457 1.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.482 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 104.52 1.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.482 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-C2' 107.324 1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O4'-C1'-N19 108.662 1.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.501 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.4 1.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.5 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C2'-C3'-O3' 113.37 1.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.43 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-C2' 107.353 1.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 107.11 0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C2'-C3'-O3' 113.63 1.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.461 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C2'-C3'-O3' 113.551 1.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.453 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 107.251 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.654 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 106.965 0.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 104.572 1.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.516 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.378 1.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.585 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 104.366 1.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.585 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C3'-C2'-C1' 104.844 1.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.563 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-C1' 104.131 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C2'-C3'-O3' 113.18 0.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.552 " O3'" ' HG2' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.151 1.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.487 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 107.198 0.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.487 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.352 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.552 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 107.307 1.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.552 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.072 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.566 0.222 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 m -84.49 3.1 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.69 0.281 . . . . 0.0 111.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 62.39 172.11 0.13 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.805 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HB2' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.67 -171.8 0.15 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.347 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.902 HG22 ' HG2' ' A' ' 8' ' ' GLU . 11.2 t 172.96 179.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.82 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.78 -39.66 93.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 111.584 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.98 -35.16 79.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.79 0.329 . . . . 0.0 111.307 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.902 ' HG2' HG22 ' A' ' 5' ' ' THR . 6.7 mm-40 -76.81 -28.6 55.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.47 -45.55 88.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.063 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.49 -36.14 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.558 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -66.36 -34.54 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 37.2 tp -59.54 -49.63 77.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.29 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -55.72 -39.78 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.826 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -69.06 -45.67 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 27' ' ' ILE . 6.4 mp -64.51 -41.79 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 12' ' ' LEU . 76.0 t -64.76 -31.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.219 0.533 . . . . 0.0 110.344 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.42 -37.27 71.49 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -85.36 -42.5 14.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.01 -41.44 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.89 -160.57 14.02 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 24.73 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 111.074 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -126.54 -47.26 1.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.387 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.78 62.79 4.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.168 0.509 . . . . 0.0 111.708 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -73.4 -16.61 61.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' H ' HG13 ' A' ' 25' ' ' ILE . 12.2 mt -60.44 -40.99 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.023 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -34.25 73.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.707 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG23 HD23 ' A' ' 15' ' ' LEU . 64.1 mt -78.77 -30.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.857 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -67.65 -16.73 64.3 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.356 0.598 . . . . 0.0 110.782 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -75.17 -23.47 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.621 0.724 . . . . 0.0 109.784 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.2 mt -95.15 -47.0 6.55 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.6 mtt -99.54 90.45 4.51 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -100.15 -13.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.426 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.7 8.93 34.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.653 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.587 ' NH2' ' HB2' ' A' ' 4' ' ' PHE . 8.3 ttm105 -134.03 143.18 47.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.836 -0.165 . . . . 0.0 110.947 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.962 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 46.4 t-20 -61.3 120.9 59.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -46.25 -40.98 22.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.71 2.94 . . . . 0.0 113.472 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' NH1' ' H62' ' C' ' 22' ' ' ' DA' . 38.3 mtm105 -70.2 -20.21 63.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 7.9 mm100 -73.63 -30.13 62.78 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.183 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.87 -31.4 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.455 HH12 " H3'" ' C' ' 21' ' ' ' DT' . 33.9 ttm180 -74.52 -43.89 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.802 178.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 16.6 tt0 -64.99 -24.88 67.64 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.527 ' NH1' " H3'" ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -76.77 -56.56 4.5 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.275 179.462 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -40.36 77.56 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.193 0.52 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -66.38 -20.96 66.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.483 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' HD21 ' A' ' 51' ' ' LEU . 50.1 m-80 -121.03 7.65 10.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -122.5 -52.83 1.92 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.214 0.916 . . . . 0.0 112.927 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.0 -4.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.532 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 9.2 t30 -88.03 -55.12 0.34 Allowed Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 49.9 Cg_endo -97.32 -176.45 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.442 2.095 . . . . 0.0 111.633 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -124.3 62.35 1.11 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.431 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -73.44 78.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.3 0.572 . . . . 0.0 112.386 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.4 OUTLIER -148.25 -153.58 0.5 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.763 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 1.6 m 37.02 54.54 1.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -178.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER 67.93 163.76 0.13 Allowed Pre-proline 0 N--CA 1.468 0.464 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.345 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.7 Cg_endo -71.98 -152.08 0.03 OUTLIER 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.359 2.039 . . . . 0.0 112.245 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.412 ' HD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.84 165.63 13.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.538 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.57 163.64 38.06 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.128 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.9 Cg_exo -56.73 -18.71 27.83 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.048 2.498 . . . . 0.0 112.981 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.49 -43.52 72.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.28 -34.58 72.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.836 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.5 OUTLIER -58.29 -44.05 88.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 90.3 mtp -74.04 -37.28 64.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.761 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.1 tp -76.63 -38.54 54.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.085 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.619 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.3 tt -60.73 -44.55 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.64 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.483 ' HB2' ' HH2' ' A' ' 94' ' ' TRP . 36.2 t70 -58.99 -35.92 74.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.203 0.525 . . . . 0.0 110.541 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -71.15 -49.98 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.48 -25.18 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -75.44 -23.62 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.732 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -91.71 -5.8 53.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.509 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -110.3 -46.58 3.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.325 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -92.2 -36.25 13.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.272 0.558 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 104.8 -160.61 15.36 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -79.7 35.2 0.56 Allowed 'Trans proline' 0 CA--C 1.527 0.129 0 C-N-CA 122.821 2.347 . . . . 0.0 112.02 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -83.26 63.64 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.619 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 43.1 m95 -47.94 -35.42 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.611 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 2.6 t-20 -61.12 -29.92 70.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.274 0.559 . . . . 0.0 110.78 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -87.72 -36.39 17.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.302 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.57 -39.53 84.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 p -64.59 -16.21 62.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.139 0.495 . . . . 0.0 111.618 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 37.1 mttp -80.32 -21.33 42.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.112 0.482 . . . . 0.0 110.485 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -93.72 -16.89 23.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.354 0.597 . . . . 0.0 109.564 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.504 HD21 ' HG2' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -117.56 90.74 3.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.456 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 68.6 tttt -71.85 75.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.464 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 7.1 t-20 177.17 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 3.7 mmt180 -95.25 141.47 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 90' ' ' ILE . 5.2 p -105.63 176.94 5.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -72.38 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -55.83 -24.08 34.34 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -79.65 -50.02 11.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 86' ' ' SER . 81.5 mt -62.79 -42.36 95.99 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.114 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.422 HH21 ' P ' ' C' ' 24' ' ' ' DC' . 1.2 tpp180 -60.08 -48.24 82.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.44 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.91 -46.65 88.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -47.84 76.32 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.483 ' HH2' ' HB2' ' A' ' 65' ' ' ASP . 73.9 t-105 -60.79 -41.98 96.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.193 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 10.9 ttt -67.8 -34.93 77.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -78.08 -49.25 14.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.858 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 97' ' ' ILE . 7.9 tp -63.91 -29.2 46.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.79 70.66 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -73.83 -23.26 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.047 0.451 . . . . 0.0 110.776 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -90.29 -31.17 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -69.54 -39.63 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.198 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.43 4.98 13.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 51.77 -150.76 0.29 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -162.1 101.98 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.718 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -58.21 149.24 24.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -154.76 -52.77 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.985 0.422 . . . . 0.0 109.956 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.346 179.797 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 107.216 1.014 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.508 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.772 0 O4'-C1'-C2' 107.161 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.521 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.145 0.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.521 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.232 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C1'-C2' 107.13 0.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.472 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.749 0 O4'-C1'-C2' 107.391 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.527 " H3'" ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O3'--C3' 1.441 0.752 0 C3'-C2'-C1' 104.767 1.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.544 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.798 0 C3'-C2'-C1' 105.098 1.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.544 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.521 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.49 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-C1' 104.346 1.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.451 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 C3'-C2'-C1' 104.159 1.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.471 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.501 " C2'" ' H72' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.306 1.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.501 ' H72' " C2'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.452 1.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.476 H2'' ' OP2' ' B' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C2'-C3'-O3' 113.401 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.476 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 O4'-C1'-C2' 107.197 0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 107.11 0.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.478 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C2'-C3'-O3' 113.864 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.478 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 102.266 -0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.506 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.258 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.506 ' H72' " C2'" ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 107.048 0.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.578 " H3'" HD22 ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.556 1.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.611 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.775 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.424 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C3'-C2'-C1' 104.798 1.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.553 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.913 1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.553 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 104.195 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.519 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 C2'-C3'-O3' 113.168 0.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.472 ' C8 ' ' H72' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.275 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.486 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.738 1.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.486 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.252 1.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.499 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 107.343 1.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.499 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 N19-C1'-C2' 115.585 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.548 ' HE3' H5'' ' C' ' 28' ' ' ' DA' . 44.5 tttp . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.32 10.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 mttt 60.38 -176.35 0.11 Allowed 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.508 0.505 . . . . 0.0 110.876 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.555 ' O ' ' HB ' ' A' ' 5' ' ' THR . 6.3 t80 62.87 168.3 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.696 HG22 ' HG2' ' A' ' 8' ' ' GLU . 9.5 t 169.01 170.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.195 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.48 -39.04 78.88 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.348 0.405 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.2 mt-10 -59.34 -22.46 61.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.626 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 5' ' ' THR . 14.4 mm-40 -87.51 -33.77 18.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.203 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.14 -45.38 83.61 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.467 0.651 . . . . 0.0 109.452 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.92 -42.09 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.739 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 46.7 mttp -63.3 -41.35 98.96 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.65 -52.56 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.522 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -52.77 -38.61 61.28 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.484 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.45 -46.48 26.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 27' ' ' ILE . 7.7 mp -64.27 -48.56 75.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.53 -33.44 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 110.669 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 ttt -69.66 -32.56 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.08 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -87.52 -38.06 16.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 23.9 m-85 -89.97 -44.92 9.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.17 -165.07 15.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.027 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.36 25.83 9.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.779 0.323 . . . . 0.0 111.838 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -141.3 -31.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 37.1 t0 -80.38 49.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.482 . . . . 0.0 111.923 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -69.88 -19.84 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.277 0.56 . . . . 0.0 109.985 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 25' ' ' ILE . 1.7 pt -67.0 -31.02 51.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.155 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -64.92 -31.52 72.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 HD23 ' A' ' 15' ' ' LEU . 54.8 mt -76.72 -27.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.411 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' MET . 3.3 m -66.76 -14.01 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.615 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.31 -36.43 81.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.355 0.598 . . . . 0.0 109.646 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.2 mt -93.08 -50.98 5.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' SER . 50.1 mtt -98.08 93.26 6.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -104.25 -9.97 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.421 0.629 . . . . 0.0 110.641 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.51 18.93 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.2 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.609 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 34.5 ttm180 -145.67 147.83 32.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.342 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 1.069 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 97.9 m-20 -63.06 136.39 96.66 Favored Pre-proline 0 C--O 1.236 0.365 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.37 -38.44 82.5 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.516 2.144 . . . . 0.0 111.578 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.772 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 26.3 mtm105 -70.25 -22.35 62.9 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.717 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 1.069 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 8.2 mm100 -69.92 -34.24 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.011 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 22.8 m -67.23 -34.24 77.05 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 54.7 ttt180 -70.5 -37.84 74.22 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.552 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HB2' ' A' ' 45' ' ' ASN . 1.5 tt0 -65.17 -28.06 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.735 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 1.7 mmp_? -72.5 -58.84 3.07 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 6.1 t-105 -56.1 -50.16 71.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 m-20 -63.33 -26.22 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 24.2 m-80 -114.29 15.07 18.14 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -140.4 -52.19 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.864 -0.734 . . . . 0.0 112.23 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.556 ' HB ' ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -102.59 -17.08 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 -177.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.698 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 37.5 t-20 -77.48 -57.46 1.05 Allowed Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 48.8 Cg_endo -97.27 -171.68 0.16 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.466 2.111 . . . . 0.0 112.192 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.25 70.17 1.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.83 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -74.91 73.11 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.0 110.94 179.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 52' ' ' ARG . 35.2 mtp180 -140.01 -154.12 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.94 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 33.03 52.67 0.34 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 72.84 153.4 0.15 Allowed Pre-proline 0 N--CA 1.474 0.773 0 O-C-N 123.438 0.461 . . . . 0.0 111.696 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' TRP . 67.7 Cg_endo -74.77 -144.45 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.538 2.159 . . . . 0.0 112.369 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.483 ' H ' ' HB2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -92.09 158.32 16.27 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.278 -0.264 . . . . 0.0 110.623 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.88 169.28 12.03 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.634 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.6 Cg_exo -57.55 -16.6 24.59 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.974 2.449 . . . . 0.0 113.099 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.42 -44.2 68.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -74.15 -33.67 63.59 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.84 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -60.84 -43.77 97.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.918 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -71.67 -35.99 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.24 -42.87 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.019 0.438 . . . . 0.0 110.372 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 6.8 tt -61.71 -39.9 93.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.69 -39.84 68.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.06 -50.82 29.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.828 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.32 -22.51 66.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.689 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -73.41 -24.7 60.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.22 0.533 . . . . 0.0 110.216 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -99.62 2.23 44.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.172 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -112.23 -53.97 2.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.692 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -93.78 -32.77 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.221 0.534 . . . . 0.0 109.671 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.36 -162.09 16.96 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.21 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.46 37.88 0.63 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.762 2.308 . . . . 0.0 111.807 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -89.32 62.29 6.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.171 0.51 . . . . 0.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.629 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 24.6 m95 -48.9 -28.25 3.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.955 -1.02 . . . . 0.0 112.803 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.72 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 11.6 t-20 -54.33 -40.5 68.06 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.132 0.491 . . . . 0.0 109.75 178.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -83.41 -36.57 24.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.799 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.72 -43.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -66.41 -22.08 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.268 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -81.41 -29.78 33.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.63 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.45 -58.02 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.7 92.3 6.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.48 92.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.069 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.72 -72.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -103.58 167.88 9.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.058 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 p -107.02 -178.84 3.76 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.374 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -46.36 -84.13 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -29.04 28.03 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.58 -46.86 65.38 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.178 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.86 -42.74 86.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 91' ' ' ARG . 1.3 tpt180 -56.9 -48.61 77.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.56 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.56 -47.06 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.254 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 93' ' ' ARG . 2.0 tpp180 -64.51 -39.9 94.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.721 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -61.2 -47.4 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.86 0.362 . . . . 0.0 110.47 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 ttt -65.58 -31.7 72.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.491 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.0 ttt -74.26 -50.09 20.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.049 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 tp -69.86 -30.69 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.09 91.23 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.805 0.336 . . . . 0.0 110.426 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -65.25 -26.37 68.07 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.362 0.601 . . . . 0.0 110.48 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -85.71 -32.78 21.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.763 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -72.73 -36.72 67.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.952 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.61 1.33 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.29 -143.36 0.73 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.809 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -164.49 125.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -80.95 147.26 30.34 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -164.64 -45.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.099 0.476 . . . . 0.0 110.458 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.42 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.441 0.793 0 C2'-C3'-O3' 113.292 0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.523 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C2'-C3'-O3' 113.256 0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.523 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 107.262 1.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.513 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C4'-C3'-C2' 102.124 -1.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.495 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 103.93 0.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C3'-C2'-C1' 104.693 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.497 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 104.658 1.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.565 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 104.523 1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.609 ' OP2' ' HA ' ' A' ' 34' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 104.915 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.515 " C2'" ' H72' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 104.613 1.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.515 ' H72' " C2'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 104.168 1.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.48 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 107.266 1.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.535 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.716 1.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.535 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 107.427 1.206 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.436 ' H72' " C2'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C2'-C3'-O3' 113.03 0.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.41 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.342 1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.539 0 O4'-C1'-C2' 107.073 0.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.45 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C2'-C3'-O3' 113.774 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C2'-C3'-O3' 113.686 1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.496 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.21 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.772 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.505 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.442 0.857 0 C3'-C2'-C1' 104.481 1.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.72 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C3'-C2'-C1' 104.655 1.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.601 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.314 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C3'-C2'-C1' 104.509 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.566 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 104.746 1.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.506 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C2'-C3'-O3' 113.726 1.158 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.548 H5'' ' HE3' ' A' ' 1' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C2'-C3'-O3' 113.239 0.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.477 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.273 1.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.477 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.239 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.517 " C2'" ' H72' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.622 0 O4'-C1'-C2' 107.221 1.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.517 ' H72' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.11 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.6 tttp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.636 0.255 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 HG11 H5'' ' C' ' 29' ' ' ' DT' . 19.0 m -67.7 -12.99 16.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -179.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HB2' " H4'" ' B' ' 8' ' ' ' DC' . 34.1 mmtp 71.98 139.12 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.538 0.524 . . . . 0.0 111.436 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 63.62 -170.61 0.18 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.357 -179.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.6 t 176.37 176.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.402 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 30.5 mt-10 -60.34 -42.26 95.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.36 0.413 . . . . 0.0 111.903 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.7 -41.01 96.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.991 0.424 . . . . 0.0 111.427 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.793 ' HG2' HG22 ' A' ' 5' ' ' THR . 18.1 mm-40 -68.88 -33.28 73.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.231 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.8 -39.39 94.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.254 0.55 . . . . 0.0 109.876 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 58.0 mt -63.83 -38.03 89.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.09 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.18 -29.59 64.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.618 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 42' ' ' ARG . 23.3 tp -56.72 -49.23 75.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.623 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -58.97 -32.01 69.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.97 0.414 . . . . 0.0 110.513 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 84.2 mm-40 -74.8 -43.78 52.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.275 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 30' ' ' LEU . 5.9 mp -66.35 -43.81 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.747 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.58 -39.61 76.27 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.857 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -56.91 -28.71 62.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.883 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 14' ' ' GLN . 5.3 mtp180 -101.69 -25.9 13.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -95.25 -32.79 12.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.34 -136.97 13.2 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.943 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.57 21.55 3.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.107 0.479 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -130.78 -43.3 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.828 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.08 64.77 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HE3' HD12 ' A' ' 27' ' ' ILE . 73.4 m95 -81.68 -8.25 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.133 0.492 . . . . 0.0 109.895 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.5 mt -73.81 -29.36 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.966 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -26.5 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.841 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.442 HG12 HD23 ' A' ' 15' ' ' LEU . 63.1 mt -77.43 -36.94 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 31' ' ' MET . 7.3 m -59.2 -18.15 34.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.188 178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -68.33 -30.47 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.236 0.541 . . . . 0.0 109.846 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 15' ' ' LEU . 65.1 mt -89.37 -48.4 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 28' ' ' SER . 3.3 ttm -112.75 101.51 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.7 tt -104.63 -4.8 9.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 0.0 111.278 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.49 13.79 14.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.84 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HA ' ' OP1' ' B' ' 9' ' ' ' DG' . 12.6 ptm85 -138.72 153.39 48.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.347 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.991 ' HB3' ' HG2' ' A' ' 38' ' ' GLN . 38.7 t-20 -64.76 123.97 84.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.832 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.72 -44.53 40.27 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.419 2.746 . . . . 0.0 113.04 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' NH2' ' H62' ' C' ' 22' ' ' ' DA' . 19.8 ttm105 -65.43 -25.16 67.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.697 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.991 ' HG2' ' HB3' ' A' ' 35' ' ' ASN . 8.9 mm100 -69.1 -20.01 64.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.496 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.09 -33.26 65.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -72.09 -45.39 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 7.6 tt0 -61.32 -24.63 66.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.09 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 12' ' ' LEU . 2.3 tpm_? -71.27 -62.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.836 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' HE3' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.89 -38.65 89.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.055 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 54.3 t30 -66.57 -22.41 66.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -113.95 11.78 17.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -142.93 -42.29 0.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' HB ' ' HE3' ' A' ' 43' ' ' TRP . 2.1 mt -101.18 -15.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.096 0.474 . . . . 0.0 111.72 -178.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.717 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 62.1 t30 -87.77 -59.3 0.26 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 62.6 Cg_endo -92.6 178.67 1.35 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.356 2.038 . . . . 0.0 111.474 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.14 93.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.483 HD13 HD22 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -96.55 76.12 2.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.275 0.559 . . . . 0.0 111.188 -179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -127.67 -36.39 2.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.559 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 47.65 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.778 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 41.7 m-20 60.04 174.86 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.383 0 C-N-CA 122.888 0.475 . . . . 0.0 111.777 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.778 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 70.6 Cg_endo -75.21 177.21 8.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 121.915 1.744 . . . . 0.0 110.601 177.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -57.56 151.54 16.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 178.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.41 166.87 37.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.306 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -54.85 -22.87 31.53 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.86 2.373 . . . . 0.0 112.705 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.58 -41.29 76.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.869 ' HG2' HD11 ' A' ' 82' ' ' LEU . 2.1 mp0 -74.05 -32.99 63.55 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.689 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.1 -43.97 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.267 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 69.6 mtm -69.2 -39.08 78.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.9 -42.34 66.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.595 HD21 ' HZ3' ' A' ' 75' ' ' TRP . 1.9 tt -61.2 -40.03 92.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.954 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.25 -39.76 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -68.93 -43.17 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.05 -23.76 62.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.759 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -75.08 -31.59 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.531 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -40.65 90.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -89.79 -122.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -10.98 -60.44 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 109.73 -157.4 15.1 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.61 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.25 37.04 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.205 2.604 . . . . 0.0 112.366 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -82.21 62.62 6.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.595 ' HZ3' HD21 ' A' ' 64' ' ' LEU . 6.5 m95 -45.42 -38.45 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.606 ' HB2' ' P ' ' C' ' 23' ' ' ' DT' . 3.0 t-20 -68.43 -17.09 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.375 . . . . 0.0 111.577 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -100.72 -41.33 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.51 -24.88 33.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -66.39 -10.9 48.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.577 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 4.7 mptt -77.66 -28.26 51.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -86.29 -22.86 26.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.071 0.463 . . . . 0.0 110.022 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.869 HD11 ' HG2' ' A' ' 60' ' ' GLU . 1.4 mm? -110.55 83.14 1.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.724 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -64.79 86.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 154.94 -37.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.723 1.264 . . . . 0.0 110.321 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -83.04 125.56 31.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.583 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 90' ' ' ILE . 10.7 p -103.13 173.3 6.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.06 -70.54 0.09 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -59.65 -25.43 64.69 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.483 HD22 HD13 ' A' ' 51' ' ' LEU . 25.3 t-20 -70.0 -51.29 33.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.546 0.212 . . . . 0.0 110.796 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 86' ' ' SER . 52.1 mt -68.79 -37.48 77.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.443 ' CZ ' " H2'" ' C' ' 24' ' ' ' DC' . 0.8 OUTLIER -54.71 -52.53 62.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.447 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.538 HD21 ' H62' ' B' ' 7' ' ' ' DA' . 3.6 m-20 -69.45 -38.81 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.441 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -64.51 -40.28 95.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -59.35 -45.26 91.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 0.0 110.683 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 45.0 ttm -67.53 -39.74 85.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -49.79 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.825 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 97' ' ' ILE . 5.5 tp -66.07 -33.32 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.843 -178.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.47 87.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -65.33 -28.5 69.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.113 0.483 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -88.92 -20.51 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.264 0.554 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 101' ' ' ARG . 1.1 tpm_? -86.41 -33.63 20.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.369 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -1.72 13.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.181 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 59.92 -163.32 0.24 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.969 0.414 . . . . 0.0 111.499 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -155.38 104.94 2.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.784 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -74.65 154.07 38.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.507 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -163.4 -54.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.165 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.388 179.419 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.44 0.685 0 C2'-C3'-O3' 113.042 0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.801 0 O4'-C1'-C2' 107.256 1.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.511 H2'' ' OP2' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.131 0.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.511 ' OP2' H2'' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.44 0.69 0 O4'-C1'-C2' 107.241 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.473 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.307 1.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.419 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 104.344 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.538 ' H62' HD21 ' A' ' 92' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.754 1.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.572 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.441 0.784 0 C3'-C2'-C1' 105.039 1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.616 ' N7 ' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.526 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 108.847 1.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.506 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.216 1.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.479 ' C8 ' ' H72' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.363 1.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.513 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-N19 108.751 1.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.513 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.443 1.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C2'-C3'-O3' 113.714 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.478 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.443 H2'' ' OP2' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.623 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C2'-C3'-O3' 113.893 1.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.487 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C2'-C3'-O3' 113.451 1.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.498 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 107.225 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.498 ' H72' ' C8 ' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.95 0.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.544 " H1'" " H5'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.473 1.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.606 ' P ' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 109.008 1.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.46 " H5'" " H1'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-C1' 104.945 1.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.578 H2'' ' OP2' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 104.794 1.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.578 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.417 1.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.454 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C2'-C3'-O3' 113.442 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.441 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.059 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.526 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.185 0.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.526 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.224 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.491 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.352 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.491 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.104 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.62 0.247 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.0 -4.56 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt 65.73 172.45 0.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.619 0.574 . . . . 0.0 112.259 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' HB2' ' OP1' ' B' ' 8' ' ' ' DC' . 1.7 t80 63.19 178.47 0.15 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.771 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.893 HG22 ' HG2' ' A' ' 8' ' ' GLU . 4.2 t 167.73 171.77 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.33 -44.14 97.7 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -55.22 -40.93 71.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.201 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' A' ' 5' ' ' THR . 17.9 mm-40 -70.2 -31.1 68.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.549 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 42' ' ' ARG . 13.4 t70 -70.33 -35.75 73.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.306 0.574 . . . . 0.0 110.367 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.2 -41.69 98.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.301 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -66.95 -32.84 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.314 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.0 tp -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -55.98 -42.47 76.38 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.851 0.357 . . . . 0.0 110.939 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -68.25 -45.38 73.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.66 ' HG ' ' HE2' ' A' ' 19' ' ' TYR . 8.4 mp -65.23 -42.23 93.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.04 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.8 -32.36 55.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.323 0.582 . . . . 0.0 110.168 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.1 ttt -69.64 -36.38 76.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.453 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -83.42 -48.65 10.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.66 ' HE2' ' HG ' ' A' ' 15' ' ' LEU . 93.3 m-85 -84.62 -35.14 22.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.85 -161.88 12.54 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.856 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.01 24.5 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.974 0.416 . . . . 0.0 111.244 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -136.49 -34.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.645 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -84.35 53.04 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.171 0.51 . . . . 0.0 111.993 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -69.43 -23.25 63.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.722 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.1 pt -65.9 -35.17 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -23.93 65.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.279 0.561 . . . . 0.0 109.966 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 HD23 ' A' ' 15' ' ' LEU . 82.3 mt -82.11 -28.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -68.75 -6.87 29.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.18 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -73.23 -26.92 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.35 -36.09 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.0 mtt -101.62 83.83 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -94.73 -15.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.919 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.99 24.54 5.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.439 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' HA ' ' OP2' ' B' ' 9' ' ' ' DG' . 35.3 ttm105 -143.98 142.74 30.88 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.217 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.757 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . 1.4 m-20 -62.73 132.63 94.73 Favored Pre-proline 0 N--CA 1.45 -0.452 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.41 -36.76 70.64 Favored 'Trans proline' 0 N--CA 1.473 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 111.509 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.625 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 24.4 mtm105 -75.4 -18.57 59.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.05 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.757 ' HG2' ' HB2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.88 -38.17 76.29 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 34' ' ' ARG . 43.2 m -64.1 -36.69 84.85 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -67.73 -42.59 81.66 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.648 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -64.01 -29.78 70.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 9' ' ' ASP . 5.7 mmm180 -71.22 -57.62 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.312 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -58.7 -49.08 78.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -62.43 -20.84 64.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.371 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -117.5 23.73 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.656 ' HA ' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -156.47 -45.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.1 mt -98.08 -26.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 6.1 t30 -76.42 -57.44 1.33 Allowed Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 64.4 Cg_endo -94.6 -173.4 0.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.154 1.903 . . . . 0.0 111.949 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.14 58.53 0.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.762 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.4 pt? -67.3 75.27 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.691 0.757 . . . . 0.0 112.361 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -147.07 -145.88 0.18 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.934 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 41.65 48.4 3.58 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.748 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 6.8 m-20 64.35 171.83 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.653 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 59.6 Cg_endo -72.18 -159.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.032 1.822 . . . . 0.0 112.08 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -83.73 166.25 18.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.66 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.18 164.5 21.23 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 61' ' ' ASP . 51.1 Cg_exo -57.12 -17.62 25.93 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.832 2.355 . . . . 0.0 113.113 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.57 -41.68 72.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 2.1 mp0 -74.52 -39.2 62.53 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 1.4 t70 -54.99 -42.05 72.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.039 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.2 mtt -77.78 -42.04 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.163 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.5 -44.53 64.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.59 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.748 HD21 HG21 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -58.96 -39.91 83.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.746 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -53.63 -35.74 61.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 3.4 tt0 -77.79 -50.73 11.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.95 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.43 -27.02 68.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.163 0.506 . . . . 0.0 111.244 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -76.47 -24.54 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.575 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.29 -5.43 58.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.342 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 66' ' ' GLN . 54.6 mm-40 -105.0 -53.85 2.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -88.24 -29.4 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.638 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.69 -158.37 17.15 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.96 32.89 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.965 2.444 . . . . 0.0 111.733 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -82.67 61.12 5.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.786 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.422 ' HZ3' ' CD2' ' A' ' 64' ' ' LEU . 36.9 m95 -52.06 -31.07 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.537 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.685 ' HB2' ' OP1' ' C' ' 23' ' ' ' DT' . 22.7 t-20 -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -78.81 -34.03 45.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.812 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.748 HG21 HD21 ' A' ' 64' ' ' LEU . 41.8 mm -71.14 -38.41 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.107 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -61.11 -14.97 28.12 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -74.61 -17.85 60.65 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -100.36 -13.47 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.158 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -121.27 83.1 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ASN . 69.2 tttt -67.51 83.71 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.933 -177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 23.0 t-20 166.64 -39.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.954 0.784 . . . . 0.0 111.136 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 56' ' ' TRP . 22.2 mmt180 -97.77 135.52 39.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.374 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 p -105.57 174.74 5.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -55.24 -26.41 39.55 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.51 -52.26 16.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.39 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.17 -44.15 98.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.468 ' NH2' " H3'" ' C' ' 24' ' ' ' DC' . 1.1 tpp180 -57.24 -49.11 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -48.57 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 93' ' ' ARG . 12.5 tpp180 -68.79 -38.47 80.02 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.415 ' HA ' HG22 ' A' ' 97' ' ' ILE . 68.3 t-105 -62.33 -45.28 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.987 0.423 . . . . 0.0 110.597 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.3 ttt -65.35 -23.56 67.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.722 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.82 -49.06 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.381 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.421 HG21 ' HZ3' ' A' ' 56' ' ' TRP . 10.0 tp -65.41 -33.19 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.51 -33.37 72.52 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.009 0.433 . . . . 0.0 110.665 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -67.47 -23.98 65.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.645 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -89.01 -40.47 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.972 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -68.58 -34.15 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.737 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.45 1.25 12.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.451 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt 49.66 -147.38 0.33 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.32 110.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.75 160.18 33.06 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -152.34 -64.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.434 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.17 179.706 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.425 H2'' ' OP2' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.439 0.616 0 C2'-C3'-O3' 113.362 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.502 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.995 0 O4'-C1'-C2' 107.339 1.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.502 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 102.046 -1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.496 ' OP2' H2'' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.18 0.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.611 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.482 1.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.611 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C2'-C3'-O3' 114.412 1.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.606 ' OP1' ' HB2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 C3'-C2'-C1' 104.507 1.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.545 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C3'-C2'-C1' 104.712 1.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.58 ' N6 ' HH12 ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C3'-C2'-C1' 104.482 1.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.454 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C3'-C2'-C1' 104.118 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.46 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.351 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.517 H2'' ' OP2' ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O4'-C1'-N19 108.724 1.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.517 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.438 1.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.454 " H5'" " H1'" ' B' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 C2'-C3'-O3' 113.27 0.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.421 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-C2' 107.258 1.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.611 0 O4'-C1'-C2' 107.1 0.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.447 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C2'-C3'-O3' 114.022 1.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.452 H2'' ' OP2' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.606 0 O4'-C1'-C2' 107.154 0.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.331 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.625 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 106.999 0.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.465 " C2'" ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 104.535 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.685 ' OP1' ' HB2' ' A' ' 76' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C3'-C2'-C1' 104.771 1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.555 H2'' " O5'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 104.347 1.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.555 " O5'" H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 104.489 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.54 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 104.708 1.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.529 ' OP2' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C2'-C3'-O3' 113.681 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.144 0.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.481 H2'' ' OP2' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.689 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.481 ' OP2' H2'' ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C2'-C3'-O3' 113.318 1.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.449 ' H72' " C2'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.162 0.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.427 ' OP2' H2'' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.144 0.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.2 tptp . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.373 0.13 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.27 1.19 10.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.559 ' HB2' H5'' ' B' ' 8' ' ' ' DC' . 78.1 mttt 61.49 -178.67 0.12 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.849 ' HD2' ' P ' ' B' ' 8' ' ' ' DC' . 0.1 OUTLIER 63.6 173.18 0.17 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 112.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.838 ' H ' ' HD1' ' A' ' 4' ' ' PHE . 12.4 t 173.36 174.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.427 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 22.5 mt-10 -60.71 -44.04 97.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.094 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.88 -51.66 68.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.025 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.654 ' HG2' HG22 ' A' ' 5' ' ' THR . 11.5 mm-40 -64.72 -33.0 74.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.57 ' CG ' HH21 ' A' ' 42' ' ' ARG . 26.1 t70 -66.15 -44.23 84.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.059 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 85.1 mt -64.19 -38.62 91.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.855 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -65.97 -34.26 77.71 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.043 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -57.35 -50.79 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.415 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -56.53 -39.75 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.906 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -70.33 -48.38 56.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.81 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 27' ' ' ILE . 8.1 mp -64.57 -39.96 94.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.243 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.02 -38.31 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.7 ttt -61.44 -32.1 72.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.594 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -89.7 -32.78 16.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -94.42 -17.64 22.31 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.58 -111.51 4.26 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.775 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.65 26.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.854 0.359 . . . . 0.0 110.715 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -136.03 -43.4 0.65 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 26' ' ' ARG . 19.8 t70 -76.63 57.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.391 0.615 . . . . 0.0 111.881 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.68 -18.47 61.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 25' ' ' ILE . 6.7 pt -66.41 -29.77 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 2.6 tpp180 -65.63 -26.99 68.07 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG12 HD23 ' A' ' 15' ' ' LEU . 46.2 mt -84.25 -29.05 7.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' MET . 14.7 m -65.72 -13.03 58.49 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.497 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -66.94 -51.4 55.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -78.62 -46.57 18.96 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 28' ' ' SER . 60.3 mtt -96.14 84.79 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.5 tt -97.23 -16.26 7.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.565 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.21 18.37 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.365 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' NE ' ' OP1' ' B' ' 8' ' ' ' DC' . 38.9 ttm105 -139.13 136.9 35.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 3.0 t-20 -58.62 126.74 80.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.42 -42.33 17.82 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.268 2.645 . . . . 0.0 113.463 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.611 ' HD3' " H2'" ' C' ' 21' ' ' ' DT' . 0.0 OUTLIER -69.52 -21.32 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -179.697 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.707 ' HG3' ' C6 ' ' B' ' 8' ' ' ' DC' . 0.3 OUTLIER -67.11 -34.83 78.46 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.8 m -64.36 -39.42 93.84 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -70.69 -37.22 73.58 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' OE1' ' C5 ' ' B' ' 8' ' ' ' DC' . 38.3 tt0 -60.05 -39.85 87.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.811 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.752 ' HD3' ' OP2' ' B' ' 7' ' ' ' DA' . 0.0 OUTLIER -73.03 -45.33 58.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.694 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' CE3' ' HB ' ' A' ' 47' ' ' ILE . 13.1 t-105 -60.72 -46.5 90.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.204 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -76.37 -17.28 59.46 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.477 ' OD1' ' HB2' ' A' ' 86' ' ' SER . 40.2 m-80 -112.77 16.97 19.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.506 ' HD2' HG12 ' A' ' 47' ' ' ILE . 70.6 t80 -155.65 -49.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.506 HG12 ' HD2' ' A' ' 46' ' ' TYR . 1.2 mt -90.99 -25.64 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 65.1 t30 -81.92 -55.0 0.62 Allowed Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 48' ' ' ASN . 27.4 Cg_endo -97.68 -167.79 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.27 83.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.92 89.8 6.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.011 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' H ' ' A' ' 53' ' ' THR . 0.8 OUTLIER -151.38 -147.62 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.29 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.431 ' H ' ' HB2' ' A' ' 52' ' ' ARG . 17.9 p 38.87 46.85 1.12 Allowed 'General case' 0 C--O 1.239 0.537 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 55' ' ' PRO . 20.8 m-20 69.94 165.42 0.13 Allowed Pre-proline 0 N--CA 1.471 0.592 0 C-N-CA 122.709 0.404 . . . . 0.0 111.886 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 54' ' ' ASP . 44.4 Cg_endo -68.14 -155.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.5 2.133 . . . . 0.0 112.314 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -78.77 165.48 23.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.117 -0.364 . . . . 0.0 110.352 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.98 166.62 19.69 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -55.79 -23.9 44.09 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.02 2.48 . . . . 0.0 112.759 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.85 -45.3 78.6 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.382 0.611 . . . . 0.0 109.515 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 1.9 mp0 -70.24 -39.87 74.78 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.275 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.12 -44.49 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.001 0.429 . . . . 0.0 111.309 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 52.4 mtt -78.36 -33.08 49.26 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.7 -34.83 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.676 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -63.11 -35.69 81.1 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.289 179.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -55.38 -33.79 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.658 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.96 -47.06 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.46 -35.07 76.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.169 0.509 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -77.2 -29.65 54.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.922 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.29 -18.58 57.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.746 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -102.41 -40.6 6.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -90.08 -35.55 15.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.47 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.13 -166.87 14.07 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.31 39.28 0.66 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 111.775 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -90.87 60.78 4.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.626 ' HD1' ' P ' ' C' ' 24' ' ' ' DC' . 59.4 m95 -52.54 -26.22 12.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.142 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -55.13 -42.56 73.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -81.88 -39.54 23.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.542 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 64' ' ' LEU . 46.8 mm -58.65 -43.85 88.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.883 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 p -63.99 -14.21 52.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.872 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -90.23 -23.03 21.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.813 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -84.93 -26.24 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.56 91.67 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -70.01 85.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.023 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -177.81 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.173 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -105.22 144.0 32.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.596 ' O ' HG13 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -101.05 164.64 11.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.321 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -78.4 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -178.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -53.2 -24.08 10.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.73 -47.12 17.48 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 86' ' ' SER . 73.7 mt -59.17 -48.52 86.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 120.632 0.253 . . . . 0.0 110.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.605 ' NH1' ' OP2' ' C' ' 25' ' ' ' DG' . 4.9 tpt180 -55.91 -45.44 78.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.975 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.45 -47.18 86.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 1.294 HH12 ' P ' ' B' ' 5' ' ' ' DT' . 2.8 mmt180 -68.89 -37.56 79.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.193 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.414 ' HA ' ' HH2' ' A' ' 56' ' ' TRP . 76.7 t-105 -59.87 -44.68 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.468 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.5 ttt -66.38 -42.68 87.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.322 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -48.93 72.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.575 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.6 tp -67.44 -32.84 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.844 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.14 79.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -70.31 -23.05 62.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.116 0.484 . . . . 0.0 110.589 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -87.4 -32.12 19.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.324 0.583 . . . . 0.0 109.555 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -77.72 -29.19 51.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.466 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -1.95 6.6 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 63.13 -168.17 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.448 0.642 . . . . 0.0 112.618 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -146.59 117.73 7.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.086 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -103.59 146.24 28.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.272 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -155.9 -49.4 0.08 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.085 0.469 . . . . 0.0 110.015 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.589 179.592 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.439 0.635 0 C2'-C3'-O3' 113.255 0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.495 H2'' ' OP2' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C2'-C3'-O3' 113.391 1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.495 ' OP2' H2'' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.158 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.173 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 1.294 ' P ' HH12 ' A' ' 93' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.098 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.343 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.752 ' OP2' ' HD3' ' A' ' 42' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 104.971 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DC' . . . . . 0.849 ' P ' ' HD2' ' A' ' 4' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C3'-C2'-C1' 104.511 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.557 ' OP2' H2'' ' B' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 104.625 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' B' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.489 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 104.261 1.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.51 " H1'" " H5'" ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.37 1.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.51 " H5'" " H1'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.839 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . 0.5 ' OP2' H2'' ' B' ' 13' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.501 H2'' ' OP2' ' B' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C2'-C3'-O3' 113.772 1.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DA' . . . . . 0.501 ' OP2' H2'' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.205 1.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.475 ' H6 ' " O5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.438 0.57 0 O4'-C1'-C2' 107.053 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 114.014 1.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.462 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.53 ' C8 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.356 1.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.611 " H2'" ' HD3' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.442 0.803 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.511 ' N7 ' ' HD2' ' A' ' 37' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.649 1.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.495 ' OP2' H2'' ' C' ' 22' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 104.418 1.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.626 ' P ' ' HD1' ' A' ' 75' ' ' TRP . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 104.219 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.605 ' OP2' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C2'-C3'-O3' 114.333 1.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.544 " C2'" ' H72' ' C' ' 27' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 104.58 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ' DT' . . . . . 0.544 ' H72' " C2'" ' C' ' 26' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C2'-C3'-O3' 113.574 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 29' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 104.135 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-N19 108.581 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.447 H2'' ' OP2' ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.281 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.527 " C2'" ' H71' ' C' ' 32' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C1'-C2' 107.23 1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ' DT' . . . . . 0.527 ' H71' " C2'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.159 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_