data_1ymz_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 1ymz _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 ' 4' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 31.0 Cg_endo . . . . . 0 N--CA 1.457 -0.634 0 N-CA-C 111.325 -0.298 . . . . 0.89 111.325 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -48.58 129.13 19.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.164 2.576 . . . . 1.1 112.796 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.16 17.34 22.81 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.572 -0.74 . . . . 0.35 111.845 -173.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.461 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 47.8 m95 -123.93 134.24 53.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.52 110.787 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -135.77 147.63 48.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.481 . . . . 1.89 109.78 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.529 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -117.66 125.06 50.04 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.585 -0.524 . . . . 3.7 109.585 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -122.9 140.98 52.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.942 -0.572 . . . . 2.56 110.843 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 121.004 0.43 . . . . 1.84 110.689 178.197 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 110.042 -0.355 . . . . 3.4 110.042 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -114.92 115.06 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.136 0.493 . . . . 1.96 110.626 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -105.2 148.26 27.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.108 0.48 . . . . 1.18 109.926 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 77.9 m-85 -106.02 126.44 52.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.422 0.629 . . . . 0.93 110.527 -173.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 50.3 t80 -112.75 113.83 26.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.464 -0.789 . . . . 1.02 110.522 -175.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -78.58 100.43 6.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.981 -1.118 . . . . 1.09 107.981 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 18.4 t -66.65 -24.02 32.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 1.17 111.086 -174.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HG3' ' HA3' ' A' ' 6' ' ' GLY . 32.2 mtm180 -69.57 -42.47 74.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 3.79 111.025 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 p -108.69 3.43 22.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.481 -0.327 . . . . 1.82 111.454 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt 59.81 40.5 19.36 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.702 -0.681 . . . . 2.4 111.317 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -100.51 130.78 46.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.202 -0.454 . . . . 1.32 111.096 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -107.62 109.81 21.53 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.671 -0.492 . . . . 1.81 109.671 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 t -136.17 156.04 49.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.126 0.488 . . . . 1.11 111.26 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.95 45.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.572 0.701 . . . . 0.73 109.475 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -127.08 117.08 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.978 -1.01 . . . . 2.85 109.748 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.94 132.99 67.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 3.7 110.905 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' CD2' ' A' ' 20' ' ' TYR . 50.5 Cg_exo . . . . . 0 C--N 1.346 0.425 0 C-N-CA 122.782 2.321 . . . . 0.96 111.729 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 1.4 Cg_endo . . . . . 0 N--CA 1.46 -0.461 0 N-CA-C 111.678 -0.162 . . . . 0.89 111.678 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.482 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 81.9 Cg_exo -45.17 127.26 8.72 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.21 2.607 . . . . 1.1 112.477 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.24 -6.96 56.36 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.779 -0.646 . . . . 0.35 113.07 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 66.4 m95 -94.09 163.71 13.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.268 0.534 . . . . 0.52 111.081 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 7.5 tp10 -151.9 148.05 27.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 1.89 110.345 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HG3' ' CE1' ' A' ' 20' ' ' TYR . 15.4 ttm-85 -127.08 106.77 9.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 3.7 109.938 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 94.0 mtt180 -134.96 167.46 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.423 -0.214 . . . . 2.56 110.423 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 1.84 111.766 -178.38 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.428 -0.212 . . . . 3.4 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.17 111.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.085 0.469 . . . . 1.96 110.399 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -105.98 164.56 11.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 1.18 110.041 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' CE1' ' HG3' ' A' ' 9' ' ' ARG . 63.7 m-85 -118.49 118.68 32.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.226 0.536 . . . . 0.93 109.989 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -109.47 115.44 29.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.553 -0.749 . . . . 1.02 110.582 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -87.33 105.38 17.21 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.69 -0.855 . . . . 1.09 108.69 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.84 -22.19 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.546 . . . . 1.17 110.948 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 23.0 mtp180 -73.78 -30.68 62.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 3.79 111.187 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.6 p -118.98 -4.6 10.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 1.82 111.624 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.83 26.98 16.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.595 -0.73 . . . . 2.4 111.021 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 m -94.28 133.23 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 1.32 111.188 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -107.56 110.51 22.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.967 -0.56 . . . . 1.81 109.557 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -130.07 161.78 30.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.581 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.01 7.77 44.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.28 0.562 . . . . 0.73 109.97 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -78.45 118.09 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 2.85 110.084 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 32' ' ' ARG . 15.4 ttm180 -72.03 118.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.745 -0.465 . . . . 3.7 109.745 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo . . . . . 0 C--N 1.345 0.388 0 C-N-CA 122.974 2.45 . . . . 0.96 112.652 -177.014 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.495 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 82.8 Cg_exo . . . . . 0 N--CA 1.462 -0.342 0 N-CA-C 111.638 -0.178 . . . . 0.89 111.638 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.5 118.95 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.779 2.32 . . . . 1.1 112.025 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.28 17.72 19.17 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.829 -0.701 . . . . 0.35 112.676 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.495 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 53.3 m95 -112.55 150.34 31.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.785 -0.45 . . . . 0.52 109.785 169.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -157.93 140.95 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.591 -0.277 . . . . 1.89 110.321 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -94.62 120.63 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.291 -0.633 . . . . 3.7 109.291 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.69 137.86 53.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.875 0.369 . . . . 2.56 110.927 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 37.0 p . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 1.84 110.674 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 mttp . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.79 0.329 . . . . 3.4 110.427 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.81 100.09 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.72 0.771 . . . . 1.96 110.516 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -95.06 153.25 17.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 1.18 109.414 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -103.01 118.02 35.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.756 -0.461 . . . . 0.93 109.756 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.489 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 59.1 t80 -100.11 116.98 33.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.869 -0.605 . . . . 1.02 110.516 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' HH21 ' A' ' 24' ' ' ARG . 56.8 t-20 -80.99 90.58 5.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.112 -0.949 . . . . 1.09 108.601 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 HG21 ' HD2' ' A' ' 21' ' ' PHE . 20.8 t -64.52 -29.6 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 1.17 110.144 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.483 HH21 ' ND2' ' A' ' 22' ' ' ASN . 72.4 mtm180 -58.84 -54.93 41.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.571 -0.741 . . . . 3.79 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -98.02 0.57 46.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 1.82 111.702 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp 60.37 58.52 2.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.984 -0.553 . . . . 2.4 110.81 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 m -145.16 138.79 26.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.621 -0.263 . . . . 1.32 110.963 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.489 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 4.6 t -106.89 127.15 53.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.547 . . . . 1.81 109.805 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -140.67 163.51 32.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 1.11 110.639 -172.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.477 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.0 m95 -101.01 11.83 38.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.73 110.273 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.76 134.46 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 2.85 109.918 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -67.55 137.65 93.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 3.7 110.398 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.236 0.394 0 C-N-CA 122.747 2.298 . . . . 0.96 112.017 174.549 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.467 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 50.4 Cg_exo . . . . . 0 C--O 1.236 0.419 0 CA-C-O 120.67 0.196 . . . . 0.89 111.934 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.7 129.68 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.666 2.244 . . . . 1.1 111.189 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.2 -0.23 54.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.908 -0.663 . . . . 0.35 112.684 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.467 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 44.3 m95 -95.83 120.94 36.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.414 0.607 . . . . 0.52 110.297 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -125.87 135.67 52.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.315 -0.402 . . . . 1.89 110.055 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -97.14 111.29 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.877 -0.416 . . . . 3.7 109.877 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -121.59 142.16 50.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.291 -0.413 . . . . 2.56 109.943 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 2.6 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.395 0.617 . . . . 1.84 111.527 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.618 ' HB3' ' HH2' ' A' ' 30' ' ' TRP . 8.6 mtmp? . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 3.4 109.588 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 2.7 p -82.97 107.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.624 0.726 . . . . 1.96 110.778 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -103.71 173.31 6.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.989 -1.005 . . . . 1.18 109.515 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -115.14 117.86 31.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.375 0.607 . . . . 0.93 110.016 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -103.06 113.54 27.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.375 -0.829 . . . . 1.02 109.936 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -83.36 93.7 7.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.538 -0.756 . . . . 1.09 109.142 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.89 -28.21 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.441 -0.8 . . . . 1.17 110.82 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 24' ' ' ARG . 31.2 mtm180 -57.74 -40.13 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.475 -0.784 . . . . 3.79 111.337 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -118.89 4.36 11.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.601 0.239 . . . . 1.82 111.623 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt 55.31 61.88 2.71 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.798 -0.637 . . . . 2.4 110.588 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 m -130.49 139.04 50.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.092 -0.504 . . . . 1.32 111.178 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -107.43 122.09 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 1.81 110.215 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -148.51 158.64 44.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.94 0.4 . . . . 1.11 111.008 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.618 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.6 m95 -96.89 41.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.34 0.59 . . . . 0.73 110.425 177.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.69 120.1 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.595 -0.73 . . . . 2.85 109.793 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' HD2' ' A' ' 33' ' ' PRO . 36.1 ttp180 -62.52 135.26 95.42 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 3.7 110.46 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HD2' ' HG3' ' A' ' 32' ' ' ARG . 86.1 Cg_exo . . . . . 0 N--CA 1.462 -0.349 0 C-N-CA 123.428 2.752 . . . . 0.96 113.396 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.239 -0.331 . . . . 0.89 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.63 138.88 86.58 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.605 2.203 . . . . 1.1 111.401 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.08 -1.77 51.23 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.705 -0.76 . . . . 0.35 112.092 -173.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.29 135.28 44.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.685 0.278 . . . . 0.52 110.273 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 3.9 tp10 -115.76 133.24 56.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.258 -0.428 . . . . 1.89 110.532 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HG2' ' CD1' ' A' ' 20' ' ' TYR . 71.3 mtm180 -110.66 106.62 15.92 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.795 -0.446 . . . . 3.7 109.795 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 99.5 mtt180 -127.11 160.77 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.283 -0.266 . . . . 2.56 110.283 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 120.918 0.389 . . . . 1.84 111.125 -176.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.458 -0.201 . . . . 3.4 110.458 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.4 110.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.438 0.637 . . . . 1.96 110.9 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -98.16 151.94 19.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.666 . . . . 1.18 109.601 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.405 ' CD1' ' HG2' ' A' ' 9' ' ' ARG . 87.2 m-85 -112.63 119.1 36.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.298 0.57 . . . . 0.93 110.458 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.495 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 75.3 t80 -110.22 122.04 46.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.376 -0.829 . . . . 1.02 110.54 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -79.02 107.21 11.62 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.769 -0.826 . . . . 1.09 108.769 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.37 -19.05 18.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.196 0.522 . . . . 1.17 110.778 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -80.53 -56.1 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.015 -0.539 . . . . 3.79 110.764 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.93 -7.4 43.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.559 . . . . 1.82 111.652 -175.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp 64.34 36.3 9.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.8 -0.636 . . . . 2.4 111.199 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 m -98.88 124.96 44.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.618 -0.719 . . . . 1.32 110.233 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.495 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 7.6 t -108.35 125.27 51.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.088 0.47 . . . . 1.81 109.909 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -146.38 168.02 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 1.11 111.03 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -103.04 8.11 38.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.733 -0.667 . . . . 0.73 110.086 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.85 116.04 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.85 109.914 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -68.2 129.76 92.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.141 -0.481 . . . . 3.7 109.987 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.94 2.427 . . . . 0.96 112.661 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.415 ' HG2' ' HD1' ' A' ' 7' ' ' TRP . 27.5 Cg_endo . . . . . 0 N--CA 1.458 -0.609 0 CA-C-O 120.617 0.174 . . . . 0.89 111.865 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -46.98 135.92 17.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.89 3.06 . . . . 1.1 112.695 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.69 -4.18 53.51 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.679 -0.691 . . . . 0.35 112.212 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.466 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 46.5 m95 -98.24 138.37 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.94 0.4 . . . . 0.52 110.386 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -142.25 129.44 20.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.615 . . . . 1.89 110.942 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 9' ' ' ARG . 32.0 ttm180 -93.11 118.74 31.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 3.7 110.092 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -120.32 152.07 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 2.56 110.7 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.45 HG22 HG21 ' A' ' 18' ' ' VAL . 2.2 p . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.136 -0.484 . . . . 1.84 110.499 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.158 -1.053 . . . . 3.4 108.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 HG21 HG22 ' A' ' 11' ' ' THR . 14.2 t -79.54 97.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.253 -0.43 . . . . 1.96 110.456 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -102.88 145.01 30.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.117 0.484 . . . . 1.18 109.829 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -109.25 124.12 50.37 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.775 -0.648 . . . . 0.93 110.011 -174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.594 ' HZ ' HD13 ' A' ' 26' ' ' LEU . 75.7 t80 -102.0 112.06 24.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.774 -0.648 . . . . 1.02 110.501 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 40.1 t30 -89.28 96.6 10.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.706 -0.679 . . . . 1.09 109.368 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.71 -31.01 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.069 -0.969 . . . . 1.17 110.953 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -54.7 -53.63 52.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 3.79 111.354 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -102.33 7.8 40.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 1.82 111.385 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD13 ' HZ ' ' A' ' 21' ' ' PHE . 23.5 tp 56.46 47.84 18.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.448 -0.796 . . . . 2.4 110.02 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 m -121.76 138.52 54.33 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.958 -0.564 . . . . 1.32 110.992 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -107.4 126.45 52.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.219 -0.66 . . . . 1.81 109.219 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -147.75 162.92 38.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.801 0.334 . . . . 1.11 110.786 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -94.68 32.56 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.371 0.605 . . . . 0.73 109.681 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -104.53 116.68 32.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.325 -0.852 . . . . 2.85 110.729 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 26.7 ptt180 -69.26 131.93 90.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 3.7 109.871 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 41.3 Cg_exo . . . . . 0 C--N 1.346 0.441 0 C-N-CA 123.016 2.478 . . . . 0.96 112.863 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 77.1 Cg_endo . . . . . 0 N--CA 1.457 -0.619 0 CA-C-O 120.974 0.322 . . . . 0.89 112.642 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.433 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 33.5 Cg_exo -59.84 152.52 63.27 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.806 2.337 . . . . 1.1 111.877 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 100.63 -13.39 59.53 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.851 -0.69 . . . . 0.35 111.88 -175.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.548 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 93.8 m95 -95.21 149.95 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.273 . . . . 0.52 110.764 173.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.79 157.88 41.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.361 -0.381 . . . . 1.89 110.048 168.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HG3' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -111.45 121.96 46.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 3.7 109.599 -173.378 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -125.98 158.5 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.056 0.455 . . . . 2.56 111.633 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 1.84 109.879 177.03 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 47.4 mmtm . . . . . 0 CA--C 1.516 -0.333 0 N-CA-C 109.545 -0.539 . . . . 3.4 109.545 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.76 98.85 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 1.96 110.27 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -91.19 138.24 31.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.415 -0.587 . . . . 1.18 109.415 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.616 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 85.6 m-85 -100.35 118.82 37.4 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.751 -0.658 . . . . 0.93 110.158 -174.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -99.41 115.81 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.646 -0.707 . . . . 1.02 110.416 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -88.89 96.43 10.7 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.56 -0.904 . . . . 1.09 108.56 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.16 -28.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.852 0.358 . . . . 1.17 110.974 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 17.6 mtp180 -57.13 -42.26 80.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 3.79 110.986 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -119.1 9.13 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 1.82 110.702 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.3 50.85 18.11 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.952 -1.022 . . . . 2.4 111.792 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 m -125.02 146.64 49.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.225 -0.443 . . . . 1.32 110.813 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.4 132.29 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.957 0.408 . . . . 1.81 111.252 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -136.42 171.44 14.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.042 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.418 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 96.6 m95 -120.35 14.26 12.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.132 0.491 . . . . 0.73 110.503 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -103.52 148.96 25.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 2.85 109.593 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 82.7 mtm180 -80.17 131.64 62.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 3.7 110.521 -177.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 2.9 Cg_exo . . . . . 0 N--CA 1.459 -0.516 0 C-N-CA 122.778 2.318 . . . . 0.96 112.025 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 6.0 Cg_exo . . . . . 0 N--CA 1.455 -0.78 0 N-CA-C 111.528 -0.22 . . . . 0.89 111.528 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.415 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.2 Cg_endo -53.51 123.65 13.85 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.823 2.349 . . . . 1.1 111.943 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.58 -4.46 56.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.35 113.237 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.531 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 85.8 m95 -102.31 139.66 37.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.973 0.386 . . . . 0.52 110.882 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.26 131.09 38.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 1.89 109.791 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.44 106.41 18.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.027 -0.731 . . . . 3.7 109.027 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -112.81 173.21 6.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.225 -0.443 . . . . 2.56 110.042 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 121.003 0.43 . . . . 1.84 110.664 179.533 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 109.124 -0.695 . . . . 3.4 109.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.02 113.38 22.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 1.96 111.329 -177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -103.66 144.61 31.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.045 -0.724 . . . . 1.18 109.045 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -102.03 118.45 36.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.443 0.639 . . . . 0.93 110.782 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -105.94 119.28 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.967 -1.015 . . . . 1.02 110.452 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 25.9 t-20 -93.18 110.07 21.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.595 -0.729 . . . . 1.09 109.591 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -72.31 -25.41 23.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.455 0.645 . . . . 1.17 110.669 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.5 mtp180 -62.71 -55.13 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.285 -0.87 . . . . 3.79 111.829 -174.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -111.42 9.42 21.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.103 0.409 . . . . 1.82 112.103 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 tp 60.68 57.55 2.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.389 0.614 . . . . 2.4 110.036 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 22' ' ' ASN . 22.9 m -118.58 133.18 56.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.863 -0.608 . . . . 1.32 111.67 -173.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 p -109.22 123.13 48.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.198 -0.456 . . . . 1.81 110.589 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -140.45 149.43 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 1.11 111.077 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -102.47 52.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.73 110.043 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -147.72 124.64 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.258 -0.883 . . . . 2.85 109.652 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 10.9 ptt180 -65.76 131.25 94.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 3.7 110.718 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 19.5 Cg_exo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 123.431 2.754 . . . . 0.96 113.194 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 N--CA 1.455 -0.776 0 N-CA-C 110.863 -0.476 . . . . 0.89 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.49 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.5 Cg_endo -53.04 140.93 58.81 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.078 2.519 . . . . 1.1 112.284 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.06 52.96 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.856 -0.687 . . . . 0.35 112.673 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -97.74 121.79 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.799 0.333 . . . . 0.52 110.248 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 7.3 tp10 -103.71 118.38 36.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.235 -0.439 . . . . 1.89 110.156 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -109.69 106.2 15.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.995 -0.548 . . . . 3.7 109.783 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -141.94 164.16 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 2.56 111.043 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 13.7 p . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 1.84 109.989 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 11' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.106 -0.702 . . . . 3.4 109.106 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -99.44 115.23 39.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.216 0.531 . . . . 1.96 111.299 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -96.9 151.3 19.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.79 -0.641 . . . . 1.18 109.58 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -114.6 117.81 31.94 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.22 0.533 . . . . 0.93 109.575 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 13.9 t80 -112.38 106.26 14.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.46 -0.791 . . . . 1.02 110.832 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.62 95.61 4.62 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.178 -1.045 . . . . 1.09 108.178 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.09 -32.62 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 1.17 110.812 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.4 mtp180 -63.67 -35.15 79.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 3.79 111.751 -173.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -114.1 2.06 14.8 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 1.82 111.59 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 tp 59.12 69.62 0.71 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.423 -0.808 . . . . 2.4 110.973 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.6 m -142.61 127.14 17.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.084 -0.385 . . . . 1.32 111.215 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -107.91 112.8 25.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 1.81 110.388 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -131.7 170.0 15.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 1.11 110.154 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -98.99 3.16 46.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.486 0.66 . . . . 0.73 109.427 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -84.08 127.3 33.81 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.075 -0.966 . . . . 2.85 110.373 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.02 155.28 44.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 3.7 110.313 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--N 1.35 0.606 0 C-N-CA 123.379 2.719 . . . . 0.96 113.206 -179.884 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 19.6 Cg_endo . . . . . 0 N--CA 1.443 -1.448 0 N-CA-C 110.668 -0.551 . . . . 0.89 110.668 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -41.9 132.25 4.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.456 2.77 . . . . 1.1 112.453 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.76 -12.26 56.36 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.672 -0.695 . . . . 0.35 112.27 -173.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.51 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 85.4 m95 -99.47 120.94 40.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.977 0.417 . . . . 0.52 110.72 173.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.47 121.83 37.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.73 -0.668 . . . . 1.89 110.749 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.625 ' HG2' ' CD2' ' A' ' 20' ' ' TYR . 84.4 mtm180 -83.2 106.15 14.76 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.565 -0.902 . . . . 3.7 108.565 172.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -109.45 134.26 52.08 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 2.56 111.25 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.793 HG21 HG23 ' A' ' 18' ' ' VAL . 30.5 p . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.169 -0.923 . . . . 1.84 109.122 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 3.3 mptp? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.669 -0.493 . . . . 3.4 109.669 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.793 HG23 HG21 ' A' ' 11' ' ' THR . 14.2 t -97.32 98.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 1.96 109.978 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -98.21 141.94 30.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.637 -0.505 . . . . 1.18 109.637 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.625 ' CD2' ' HG2' ' A' ' 9' ' ' ARG . 44.9 m-85 -98.22 117.59 32.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.382 -0.599 . . . . 0.93 109.382 -177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -115.04 119.65 37.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.62 -0.718 . . . . 1.02 111.291 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.51 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 46.5 t-20 -89.46 109.55 20.47 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.183 -1.043 . . . . 1.09 108.183 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.74 -18.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.531 . . . . 1.17 111.115 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.59 -40.8 22.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.207 -0.451 . . . . 3.79 111.486 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.4 p -102.48 -7.8 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 1.82 111.556 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.33 42.27 7.03 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 2.4 110.713 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -105.74 125.4 50.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.103 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.4 110.77 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 1.81 110.145 174.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -129.49 159.43 36.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 1.11 110.539 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -92.0 -3.44 55.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 0.73 109.3 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.39 123.65 28.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.263 -0.88 . . . . 2.85 109.486 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.63 143.01 98.48 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 3.7 109.822 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 124.96 3.773 . . . . 0.96 114.19 -175.063 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 109.732 -0.469 . . . . 5.02 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.07 156.48 38.32 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.583 2.189 . . . . 2.42 112.522 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -109.29 102.99 51.4 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.12 -0.696 . . . . 2.38 109.12 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 31.0 Cg_endo -65.22 145.04 83.18 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.407 2.071 . . . . 0.89 111.325 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -48.58 129.13 19.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.164 2.576 . . . . 1.1 112.796 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.16 17.34 22.81 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.572 -0.74 . . . . 0.35 111.845 -173.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.461 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 47.8 m95 -123.93 134.24 53.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.52 110.787 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -135.77 147.63 48.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.481 . . . . 1.89 109.78 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.529 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -117.66 125.06 50.04 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.585 -0.524 . . . . 3.7 109.585 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -122.9 140.98 52.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.942 -0.572 . . . . 2.56 110.843 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -98.6 135.29 40.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.004 0.43 . . . . 1.84 110.689 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -94.2 171.12 9.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.05 -0.523 . . . . 2.22 109.595 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.35 -28.5 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 120.801 0.334 . . . . 3.42 111.082 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' CD ' ' HZ3' ' A' ' 17' ' ' LYS . 39.5 mt-10 -66.33 -9.8 36.62 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.381 -0.372 . . . . 6.33 111.632 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.91 8.48 72.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 1.74 111.55 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HZ3' ' CD ' ' A' ' 14' ' ' GLU . 89.8 mttt -89.77 150.47 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.435 -0.382 . . . . 3.4 110.042 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -114.92 115.06 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.136 0.493 . . . . 1.96 110.626 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -105.2 148.26 27.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.108 0.48 . . . . 1.18 109.926 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 77.9 m-85 -106.02 126.44 52.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.422 0.629 . . . . 0.93 110.527 -173.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 23' ' ' VAL . 50.3 t80 -112.75 113.83 26.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.464 -0.789 . . . . 1.02 110.522 -175.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -78.58 100.43 6.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.981 -1.118 . . . . 1.09 107.981 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 18.4 t -66.65 -24.02 32.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 1.17 111.086 -174.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HG3' ' HA3' ' A' ' 6' ' ' GLY . 32.2 mtm180 -69.57 -42.47 74.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 3.79 111.025 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 p -108.69 3.43 22.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.481 -0.327 . . . . 1.82 111.454 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt 59.81 40.5 19.36 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.702 -0.681 . . . . 2.4 111.317 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -100.51 130.78 46.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.202 -0.454 . . . . 1.32 111.096 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -107.62 109.81 21.53 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.671 -0.492 . . . . 1.81 109.671 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 t -136.17 156.04 49.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.126 0.488 . . . . 1.11 111.26 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.95 45.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.572 0.701 . . . . 0.73 109.475 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -127.08 117.08 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.978 -1.01 . . . . 2.85 109.748 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.94 132.99 67.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 3.7 110.905 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' CD2' ' A' ' 20' ' ' TYR . 50.5 Cg_exo -54.36 112.52 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.782 2.321 . . . . 0.96 111.729 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 p -81.96 172.97 12.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.779 -0.646 . . . . 2.98 110.84 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.93 86.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.923 -0.58 . . . . 5.53 110.017 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp 74.0 132.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 114.688 -1.142 . . . . 4.58 110.744 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 tp -128.8 124.46 35.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.999 -0.546 . . . . 6.43 109.797 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.548 -0.739 . . . . 8.43 109.964 179.23 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 109.514 -0.551 . . . . 5.02 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 87.5 Cg_endo -77.43 146.13 24.33 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.914 2.409 . . . . 2.42 113.674 -169.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 82.8 mt -127.66 85.06 61.67 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.217 -0.901 . . . . 2.38 109.054 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 1.4 Cg_endo -51.35 145.11 28.76 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.807 2.338 . . . . 0.89 111.678 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.482 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 81.9 Cg_exo -45.17 127.26 8.72 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.21 2.607 . . . . 1.1 112.477 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.24 -6.96 56.36 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.779 -0.646 . . . . 0.35 113.07 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 66.4 m95 -94.09 163.71 13.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.268 0.534 . . . . 0.52 111.081 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 7.5 tp10 -151.9 148.05 27.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 1.89 110.345 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HG3' ' CE1' ' A' ' 20' ' ' TYR . 15.4 ttm-85 -127.08 106.77 9.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 3.7 109.938 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 94.0 mtt180 -134.96 167.46 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.423 -0.214 . . . . 2.56 110.423 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -103.59 132.06 50.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 1.84 111.766 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.68 172.08 12.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.254 -0.884 . . . . 2.22 110.517 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.27 -36.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.746 0.308 . . . . 3.42 111.148 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.44 -4.65 31.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.925 0.393 . . . . 6.33 111.525 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.81 4.24 72.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.042 -0.599 . . . . 1.74 111.928 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.92 126.43 31.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.228 . . . . 3.4 110.428 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.17 111.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.085 0.469 . . . . 1.96 110.399 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -105.98 164.56 11.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 1.18 110.041 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' CE1' ' HG3' ' A' ' 9' ' ' ARG . 63.7 m-85 -118.49 118.68 32.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.226 0.536 . . . . 0.93 109.989 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -109.47 115.44 29.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.553 -0.749 . . . . 1.02 110.582 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -87.33 105.38 17.21 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.69 -0.855 . . . . 1.09 108.69 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.84 -22.19 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.546 . . . . 1.17 110.948 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 23.0 mtp180 -73.78 -30.68 62.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 3.79 111.187 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.6 p -118.98 -4.6 10.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 1.82 111.624 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.83 26.98 16.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.595 -0.73 . . . . 2.4 111.021 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 m -94.28 133.23 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 1.32 111.188 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -107.56 110.51 22.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.967 -0.56 . . . . 1.81 109.557 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -130.07 161.78 30.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.581 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.01 7.77 44.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.28 0.562 . . . . 0.73 109.97 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -78.45 118.09 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 2.85 110.084 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 32' ' ' ARG . 15.4 ttm180 -72.03 118.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.745 -0.465 . . . . 3.7 109.745 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.03 109.6 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.974 2.45 . . . . 0.96 112.652 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -115.99 -14.56 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 2.98 110.06 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.579 HG23 HG13 ' A' ' 36' ' ' ILE . 71.0 mt -77.22 136.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.542 -0.753 . . . . 5.53 109.882 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG13 HG23 ' A' ' 35' ' ' ILE . 70.2 mt 74.65 96.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 O-C-N 124.075 0.859 . . . . 4.58 109.407 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.05 157.04 20.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.25 -0.886 . . . . 6.43 111.538 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 2' ' ' PRO . 8.4 pt-20 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.249 -0.887 . . . . 8.43 109.147 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.729 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 60.5 mtt . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 111.533 0.197 . . . . 5.02 111.533 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.729 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 16.9 Cg_exo -68.65 148.04 71.22 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.046 1.83 . . . . 2.42 111.343 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.7 mt -134.98 91.63 19.55 Favored Pre-proline 0 N--CA 1.446 -0.674 0 N-CA-C 108.704 -0.85 . . . . 2.38 108.704 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.495 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 82.8 Cg_exo -47.99 140.11 19.2 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.866 2.377 . . . . 0.89 111.638 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.5 118.95 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.779 2.32 . . . . 1.1 112.025 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.28 17.72 19.17 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.829 -0.701 . . . . 0.35 112.676 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.495 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 53.3 m95 -112.55 150.34 31.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.785 -0.45 . . . . 0.52 109.785 169.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -157.93 140.95 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.591 -0.277 . . . . 1.89 110.321 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -94.62 120.63 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.291 -0.633 . . . . 3.7 109.291 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.69 137.86 53.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.875 0.369 . . . . 2.56 110.927 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 37.0 p -108.42 127.9 54.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 1.84 110.674 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.528 ' OD1' ' HB2' ' A' ' 17' ' ' LYS . 4.1 p-10 -84.79 -168.47 2.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 2.22 110.881 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.78 -35.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.717 0.294 . . . . 3.42 111.765 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -71.36 -21.93 61.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.953 0.406 . . . . 6.33 110.807 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.6 1.78 53.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.797 -0.716 . . . . 1.74 112.104 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 mttp -71.75 130.54 41.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.79 0.329 . . . . 3.4 110.427 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.81 100.09 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.72 0.771 . . . . 1.96 110.516 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -95.06 153.25 17.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 1.18 109.414 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -103.01 118.02 35.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.756 -0.461 . . . . 0.93 109.756 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.489 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 59.1 t80 -100.11 116.98 33.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.869 -0.605 . . . . 1.02 110.516 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' HH21 ' A' ' 24' ' ' ARG . 56.8 t-20 -80.99 90.58 5.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.112 -0.949 . . . . 1.09 108.601 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG21 ' HD2' ' A' ' 21' ' ' PHE . 20.8 t -64.52 -29.6 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 1.17 110.144 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.483 HH21 ' ND2' ' A' ' 22' ' ' ASN . 72.4 mtm180 -58.84 -54.93 41.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.571 -0.741 . . . . 3.79 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -98.02 0.57 46.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 1.82 111.702 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp 60.37 58.52 2.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.984 -0.553 . . . . 2.4 110.81 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 m -145.16 138.79 26.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.621 -0.263 . . . . 1.32 110.963 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.489 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 4.6 t -106.89 127.15 53.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.547 . . . . 1.81 109.805 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -140.67 163.51 32.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 1.11 110.639 -172.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.477 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.0 m95 -101.01 11.83 38.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.73 110.273 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.76 134.46 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 2.85 109.918 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -67.55 137.65 93.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 3.7 110.398 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.34 103.81 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.747 2.298 . . . . 0.96 112.017 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 p -97.8 116.17 29.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.707 -0.679 . . . . 2.98 110.776 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.63 HG12 HG13 ' A' ' 36' ' ' ILE . 14.7 tt -81.2 137.71 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.752 -0.462 . . . . 5.53 109.752 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG13 HG12 ' A' ' 35' ' ' ILE . 64.6 mt 65.55 90.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.375 0.607 . . . . 4.58 110.056 -176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.94 100.97 6.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.912 -0.585 . . . . 6.43 110.876 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.434 -0.803 . . . . 8.43 110.053 177.496 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.841 0.353 . . . . 5.02 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.507 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 44.0 Cg_endo -69.46 129.47 17.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.395 2.064 . . . . 2.42 111.889 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 33' ' ' PRO . 96.3 mt -135.32 78.8 50.78 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.568 -0.53 . . . . 2.38 109.568 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.467 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 50.4 Cg_exo -56.13 144.53 79.98 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.014 2.476 . . . . 0.89 111.934 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.7 129.68 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.666 2.244 . . . . 1.1 111.189 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.2 -0.23 54.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.908 -0.663 . . . . 0.35 112.684 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.467 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 44.3 m95 -95.83 120.94 36.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.414 0.607 . . . . 0.52 110.297 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -125.87 135.67 52.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.315 -0.402 . . . . 1.89 110.055 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -97.14 111.29 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.877 -0.416 . . . . 3.7 109.877 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -121.59 142.16 50.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.291 -0.413 . . . . 2.56 109.943 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 2.6 t -122.88 148.17 45.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.395 0.617 . . . . 1.84 111.527 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -74.91 173.14 11.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.064 -0.971 . . . . 2.22 110.197 174.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.6 -47.92 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.387 . . . . 3.42 111.099 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.72 -27.2 69.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.841 -0.618 . . . . 6.33 111.487 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.12 21.3 3.48 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.214 -0.993 . . . . 1.74 112.8 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.618 ' HB3' ' HH2' ' A' ' 30' ' ' TRP . 8.6 mtmp? -82.24 91.79 6.81 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.588 -0.523 . . . . 3.4 109.588 174.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 2.7 p -82.97 107.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.624 0.726 . . . . 1.96 110.778 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -103.71 173.31 6.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.989 -1.005 . . . . 1.18 109.515 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -115.14 117.86 31.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.375 0.607 . . . . 0.93 110.016 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -103.06 113.54 27.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.375 -0.829 . . . . 1.02 109.936 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -83.36 93.7 7.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.538 -0.756 . . . . 1.09 109.142 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.89 -28.21 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.441 -0.8 . . . . 1.17 110.82 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 24' ' ' ARG . 31.2 mtm180 -57.74 -40.13 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.475 -0.784 . . . . 3.79 111.337 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -118.89 4.36 11.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.601 0.239 . . . . 1.82 111.623 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt 55.31 61.88 2.71 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.798 -0.637 . . . . 2.4 110.588 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 m -130.49 139.04 50.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.092 -0.504 . . . . 1.32 111.178 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -107.43 122.09 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 1.81 110.215 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -148.51 158.64 44.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.94 0.4 . . . . 1.11 111.008 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.618 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.6 m95 -96.89 41.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.34 0.59 . . . . 0.73 110.425 177.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.69 120.1 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.595 -0.73 . . . . 2.85 109.793 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' HD2' ' A' ' 33' ' ' PRO . 36.1 ttp180 -62.52 135.26 95.42 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 3.7 110.46 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HB2' HD22 ' A' ' 3' ' ' LEU . 86.1 Cg_exo -43.98 127.23 6.6 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 123.428 2.752 . . . . 0.96 113.396 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.507 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 6.1 t -130.87 148.36 52.63 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.932 -1.031 . . . . 2.98 108.268 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.3 tp -77.59 97.3 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.677 0.751 . . . . 5.53 110.439 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.51 138.55 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.922 -1.035 . . . . 4.58 110.161 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.73 92.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.244 0.545 . . . . 6.43 109.763 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 115.33 -0.85 . . . . 8.43 109.538 -176.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.022 -0.362 . . . . 5.02 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.92 128.25 18.43 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.608 2.205 . . . . 2.42 112.121 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.6 mt -135.22 105.0 10.27 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.098 -0.501 . . . . 2.38 110.523 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -82.27 140.45 10.98 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.835 2.357 . . . . 0.89 111.239 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.63 138.88 86.58 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.605 2.203 . . . . 1.1 111.401 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.08 -1.77 51.23 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.705 -0.76 . . . . 0.35 112.092 -173.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.29 135.28 44.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.685 0.278 . . . . 0.52 110.273 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 3.9 tp10 -115.76 133.24 56.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.258 -0.428 . . . . 1.89 110.532 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HG2' ' CD1' ' A' ' 20' ' ' TYR . 71.3 mtm180 -110.66 106.62 15.92 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.795 -0.446 . . . . 3.7 109.795 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.548 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 99.5 mtt180 -127.11 160.77 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.283 -0.266 . . . . 2.56 110.283 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -114.29 132.42 56.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.918 0.389 . . . . 1.84 111.125 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.48 172.56 12.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.239 -0.652 . . . . 2.22 109.239 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.4 t -59.82 -27.55 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.948 0.404 . . . . 3.42 110.963 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.04 -10.05 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 6.33 111.902 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 16.96 66.22 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.976 -0.849 . . . . 1.74 110.976 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -101.73 131.75 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.324 . . . . 3.4 110.458 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.4 110.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.438 0.637 . . . . 1.96 110.9 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -98.16 151.94 19.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.666 . . . . 1.18 109.601 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.405 ' CD1' ' HG2' ' A' ' 9' ' ' ARG . 87.2 m-85 -112.63 119.1 36.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.298 0.57 . . . . 0.93 110.458 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.495 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 75.3 t80 -110.22 122.04 46.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.376 -0.829 . . . . 1.02 110.54 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -79.02 107.21 11.62 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.769 -0.826 . . . . 1.09 108.769 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.37 -19.05 18.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.196 0.522 . . . . 1.17 110.778 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -80.53 -56.1 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.015 -0.539 . . . . 3.79 110.764 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.93 -7.4 43.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.559 . . . . 1.82 111.652 -175.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp 64.34 36.3 9.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.8 -0.636 . . . . 2.4 111.199 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 m -98.88 124.96 44.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.618 -0.719 . . . . 1.32 110.233 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.495 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 7.6 t -108.35 125.27 51.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.088 0.47 . . . . 1.81 109.909 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -146.38 168.02 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 1.11 111.03 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -103.04 8.11 38.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.733 -0.667 . . . . 0.73 110.086 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.85 116.04 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.85 109.914 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -68.2 129.76 92.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.141 -0.481 . . . . 3.7 109.987 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.14 124.57 14.25 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.94 2.427 . . . . 0.96 112.661 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -161.2 -35.95 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.278 -0.873 . . . . 2.98 109.735 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 35' ' ' ILE . 18.9 pt -87.3 95.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 5.53 110.011 172.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -79.5 128.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.072 -0.513 . . . . 4.58 110.229 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.83 107.25 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 6.43 110.014 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.296 -0.859 . . . . 8.43 110.143 -178.064 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.812 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 24.7 ttt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 119.811 -0.138 . . . . 5.02 110.756 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.812 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 2.9 Cg_exo -77.05 129.89 10.86 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.783 1.655 . . . . 2.42 110.762 173.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.62 117.67 22.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.102 -0.703 . . . . 2.38 109.102 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.415 ' HG2' ' HD1' ' A' ' 7' ' ' TRP . 27.5 Cg_endo -64.14 142.58 81.04 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.821 2.347 . . . . 0.89 111.865 -173.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -46.98 135.92 17.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.89 3.06 . . . . 1.1 112.695 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.69 -4.18 53.51 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.679 -0.691 . . . . 0.35 112.212 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.466 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 46.5 m95 -98.24 138.37 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.94 0.4 . . . . 0.52 110.386 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -142.25 129.44 20.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.615 . . . . 1.89 110.942 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 9' ' ' ARG . 32.0 ttm180 -93.11 118.74 31.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 3.7 110.092 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -120.32 152.07 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 2.56 110.7 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.45 HG22 HG21 ' A' ' 18' ' ' VAL . 2.2 p -116.32 118.4 32.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.136 -0.484 . . . . 1.84 110.499 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.732 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 2.9 t70 -81.63 -143.46 0.05 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 2.22 109.833 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.9 m -58.24 90.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.967 0.729 . . . . 3.42 112.967 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 76.95 -29.29 0.17 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.455 -1.248 . . . . 6.33 113.946 165.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.49 31.23 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.232 -1.461 . . . . 1.74 113.521 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.732 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 43.8 mmtm -101.52 88.55 3.46 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.158 -1.053 . . . . 3.4 108.158 173.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG21 HG22 ' A' ' 11' ' ' THR . 14.2 t -79.54 97.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.253 -0.43 . . . . 1.96 110.456 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -102.88 145.01 30.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.117 0.484 . . . . 1.18 109.829 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -109.25 124.12 50.37 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.775 -0.648 . . . . 0.93 110.011 -174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.594 ' HZ ' HD13 ' A' ' 26' ' ' LEU . 75.7 t80 -102.0 112.06 24.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.774 -0.648 . . . . 1.02 110.501 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 40.1 t30 -89.28 96.6 10.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.706 -0.679 . . . . 1.09 109.368 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.71 -31.01 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.069 -0.969 . . . . 1.17 110.953 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -54.7 -53.63 52.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 3.79 111.354 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -102.33 7.8 40.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 1.82 111.385 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD13 ' HZ ' ' A' ' 21' ' ' PHE . 23.5 tp 56.46 47.84 18.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.448 -0.796 . . . . 2.4 110.02 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 m -121.76 138.52 54.33 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.958 -0.564 . . . . 1.32 110.992 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -107.4 126.45 52.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.219 -0.66 . . . . 1.81 109.219 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -147.75 162.92 38.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.801 0.334 . . . . 1.11 110.786 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -94.68 32.56 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.371 0.605 . . . . 0.73 109.681 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -104.53 116.68 32.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.325 -0.852 . . . . 2.85 110.729 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 26.7 ptt180 -69.26 131.93 90.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 3.7 109.871 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 41.3 Cg_exo -59.19 99.23 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.016 2.478 . . . . 0.96 112.863 -178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -106.77 -1.0 23.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.067 -0.969 . . . . 2.98 109.115 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.27 136.96 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.159 -1.382 . . . . 5.53 110.179 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 pt -129.76 147.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.972 -0.558 . . . . 4.58 109.601 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -63.28 131.46 48.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 6.43 110.401 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.549 -0.739 . . . . 8.43 109.677 -178.585 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 34' ' ' THR . 50.5 ttm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 5.02 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.809 ' HG2' ' HB ' ' A' ' 35' ' ' ILE . 38.5 Cg_endo -66.78 143.73 68.52 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.798 2.332 . . . . 2.42 113.028 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -133.11 138.84 32.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.389 -0.967 . . . . 2.38 108.389 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 77.1 Cg_endo -77.12 146.89 25.86 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.339 2.026 . . . . 0.89 112.642 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 33.5 Cg_exo -59.84 152.52 63.27 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.806 2.337 . . . . 1.1 111.877 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 100.63 -13.39 59.53 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.851 -0.69 . . . . 0.35 111.88 -175.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.548 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 93.8 m95 -95.21 149.95 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.273 . . . . 0.52 110.764 173.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.79 157.88 41.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.361 -0.381 . . . . 1.89 110.048 168.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HG3' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -111.45 121.96 46.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 3.7 109.599 -173.378 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -125.98 158.5 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.056 0.455 . . . . 2.56 111.633 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 p -132.9 128.66 37.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 1.84 109.879 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -100.4 -59.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.786 0.327 . . . . 2.22 110.994 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -81.46 18.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.448 -0.342 . . . . 3.42 111.914 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 58.21 49.03 11.84 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.26 -0.427 . . . . 6.33 111.224 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.87 -51.72 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.538 -0.839 . . . . 1.74 112.102 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 47.4 mmtm -77.64 121.44 23.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.545 -0.539 . . . . 3.4 109.545 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.76 98.85 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 1.96 110.27 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -91.19 138.24 31.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.415 -0.587 . . . . 1.18 109.415 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.616 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 85.6 m-85 -100.35 118.82 37.4 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.751 -0.658 . . . . 0.93 110.158 -174.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -99.41 115.81 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.646 -0.707 . . . . 1.02 110.416 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -88.89 96.43 10.7 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.56 -0.904 . . . . 1.09 108.56 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.16 -28.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.852 0.358 . . . . 1.17 110.974 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 17.6 mtp180 -57.13 -42.26 80.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 3.79 110.986 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -119.1 9.13 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 1.82 110.702 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.3 50.85 18.11 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.952 -1.022 . . . . 2.4 111.792 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 m -125.02 146.64 49.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.225 -0.443 . . . . 1.32 110.813 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.4 132.29 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.957 0.408 . . . . 1.81 111.252 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -136.42 171.44 14.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.042 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.418 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 96.6 m95 -120.35 14.26 12.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.132 0.491 . . . . 0.73 110.503 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -103.52 148.96 25.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 2.85 109.593 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 82.7 mtm180 -80.17 131.64 62.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 3.7 110.521 -177.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 2.9 Cg_exo -72.99 102.38 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.778 2.318 . . . . 0.96 112.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.444 HG23 ' SD ' ' A' ' 1' ' ' MET . 77.5 p -89.05 -170.88 3.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 2.98 109.839 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.809 ' HB ' ' HG2' ' A' ' 2' ' ' PRO . 11.9 tt -79.77 70.54 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 122.314 1.054 . . . . 5.53 110.47 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.5 tp -163.32 136.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.957 -1.019 . . . . 4.58 109.578 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt -83.35 91.83 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.496 -0.557 . . . . 6.43 109.496 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.565 -0.731 . . . . 8.43 110.076 -176.565 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 ttp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.826 -0.435 . . . . 5.02 109.826 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -73.35 139.01 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.875 2.383 . . . . 2.42 112.398 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.513 HD13 HH11 ' A' ' 9' ' ' ARG . 0.9 OUTLIER -135.18 102.79 10.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 121.525 0.678 . . . . 2.38 110.0 174.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.531 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 6.0 Cg_exo -71.73 162.65 41.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.801 2.334 . . . . 0.89 111.528 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.2 Cg_endo -53.51 123.65 13.85 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.823 2.349 . . . . 1.1 111.943 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.58 -4.46 56.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.35 113.237 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.531 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 85.8 m95 -102.31 139.66 37.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.973 0.386 . . . . 0.52 110.882 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.26 131.09 38.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 1.89 109.791 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.513 HH11 HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -96.44 106.41 18.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.027 -0.731 . . . . 3.7 109.027 178.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -112.81 173.21 6.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.225 -0.443 . . . . 2.56 110.042 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.584 ' CG2' ' HA ' ' A' ' 14' ' ' GLU . 9.2 t -153.35 146.37 24.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.003 0.43 . . . . 1.84 110.664 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -95.23 -53.15 3.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.594 . . . . 2.22 111.479 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -81.12 -4.11 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.328 0.585 . . . . 3.42 110.754 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.584 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 38.2 mt-10 66.58 56.72 0.73 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.32 -0.855 . . . . 6.33 109.853 -173.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.74 -42.58 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.486 -1.234 . . . . 1.74 110.776 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -84.94 99.97 11.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.124 -0.695 . . . . 3.4 109.124 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.02 113.38 22.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 1.96 111.329 -177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -103.66 144.61 31.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.045 -0.724 . . . . 1.18 109.045 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -102.03 118.45 36.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.443 0.639 . . . . 0.93 110.782 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -105.94 119.28 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.967 -1.015 . . . . 1.02 110.452 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 25.9 t-20 -93.18 110.07 21.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.595 -0.729 . . . . 1.09 109.591 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -72.31 -25.41 23.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.455 0.645 . . . . 1.17 110.669 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.5 mtp180 -62.71 -55.13 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.285 -0.87 . . . . 3.79 111.829 -174.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -111.42 9.42 21.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.103 0.409 . . . . 1.82 112.103 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 tp 60.68 57.55 2.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.389 0.614 . . . . 2.4 110.036 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 22' ' ' ASN . 22.9 m -118.58 133.18 56.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.863 -0.608 . . . . 1.32 111.67 -173.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 p -109.22 123.13 48.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.198 -0.456 . . . . 1.81 110.589 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -140.45 149.43 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 1.11 111.077 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -102.47 52.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.73 110.043 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -147.72 124.64 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.258 -0.883 . . . . 2.85 109.652 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 10.9 ptt180 -65.76 131.25 94.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 3.7 110.718 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 19.5 Cg_exo -65.12 117.83 4.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 123.431 2.754 . . . . 0.96 113.194 -173.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -141.87 -176.06 4.64 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.772 -0.825 . . . . 2.98 108.772 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp 40.06 64.16 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 122.374 1.083 . . . . 5.53 111.454 -175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' A' ' 4' ' ' PRO . 32.5 pt -92.26 153.63 3.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.994 -1.003 . . . . 4.58 110.432 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.09 92.34 5.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.858 -0.61 . . . . 6.43 110.887 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-N 114.891 -1.049 . . . . 8.43 108.44 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 21.1 mmt . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 111.554 0.205 . . . . 5.02 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 17.1 Cg_exo -68.05 157.99 59.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.102 1.868 . . . . 2.42 111.341 175.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' HB3' ' HG2' ' A' ' 33' ' ' PRO . 1.5 pt? -135.59 120.65 13.55 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.992 0.425 . . . . 2.38 110.261 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HD3' HD11 ' A' ' 36' ' ' ILE . 44.4 Cg_endo -73.77 148.76 41.8 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.308 2.005 . . . . 0.89 110.863 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.49 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.5 Cg_endo -53.04 140.93 58.81 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.078 2.519 . . . . 1.1 112.284 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.06 52.96 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.856 -0.687 . . . . 0.35 112.673 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -97.74 121.79 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.799 0.333 . . . . 0.52 110.248 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 7.3 tp10 -103.71 118.38 36.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.235 -0.439 . . . . 1.89 110.156 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -109.69 106.2 15.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.995 -0.548 . . . . 3.7 109.783 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -141.94 164.16 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 2.56 111.043 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 13.7 p -101.51 137.35 39.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 1.84 109.989 177.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 13' ' ' VAL . 29.1 p-10 -96.03 -83.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.213 0.82 . . . . 2.22 113.213 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 44.9 t -79.35 -58.6 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.454 0.645 . . . . 3.42 110.643 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.13 79.75 0.6 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.185 -0.916 . . . . 6.33 110.893 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.67 -20.96 24.96 Favored Glycine 0 C--N 1.317 -0.475 0 CA-C-N 115.558 -0.747 . . . . 1.74 113.402 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -70.79 124.71 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.106 -0.702 . . . . 3.4 109.106 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -99.44 115.23 39.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.216 0.531 . . . . 1.96 111.299 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -96.9 151.3 19.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.79 -0.641 . . . . 1.18 109.58 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -114.6 117.81 31.94 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.22 0.533 . . . . 0.93 109.575 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 13.9 t80 -112.38 106.26 14.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.46 -0.791 . . . . 1.02 110.832 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.62 95.61 4.62 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.178 -1.045 . . . . 1.09 108.178 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.09 -32.62 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 1.17 110.812 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.4 mtp180 -63.67 -35.15 79.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 3.79 111.751 -173.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -114.1 2.06 14.8 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 1.82 111.59 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 tp 59.12 69.62 0.71 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.423 -0.808 . . . . 2.4 110.973 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.6 m -142.61 127.14 17.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.084 -0.385 . . . . 1.32 111.215 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -107.91 112.8 25.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 1.81 110.388 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -131.7 170.0 15.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 1.11 110.154 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -98.99 3.16 46.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.486 0.66 . . . . 0.73 109.427 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -84.08 127.3 33.81 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.075 -0.966 . . . . 2.85 110.373 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.02 155.28 44.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 3.7 110.313 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 71.0 Cg_exo -43.21 105.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.379 2.719 . . . . 0.96 113.206 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.4 147.34 37.94 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.106 -0.952 . . . . 2.98 110.002 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.1 mm 68.85 81.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.489 0.662 . . . . 5.53 109.308 -173.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 HD11 ' HD3' ' A' ' 4' ' ' PRO . 25.0 mm -80.79 122.5 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 4.58 109.937 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.54 140.67 53.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 6.43 111.191 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.718 -0.658 . . . . 8.43 109.603 178.085 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.607 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 48.5 ttm . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 119.502 -0.285 . . . . 5.02 111.66 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 15.3 Cg_exo -69.7 157.42 60.56 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.163 1.909 . . . . 2.42 112.76 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.888 ' HG ' ' HG2' ' A' ' 33' ' ' PRO . 7.8 mp -119.73 120.32 30.64 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.916 -0.772 . . . . 2.38 108.916 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 19.6 Cg_endo -79.9 142.44 15.71 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 C-N-CA 121.763 1.642 . . . . 0.89 110.668 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -41.9 132.25 4.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.456 2.77 . . . . 1.1 112.453 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.76 -12.26 56.36 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.672 -0.695 . . . . 0.35 112.27 -173.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.51 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 85.4 m95 -99.47 120.94 40.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.977 0.417 . . . . 0.52 110.72 173.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.47 121.83 37.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.73 -0.668 . . . . 1.89 110.749 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' HG3' HD22 ' A' ' 3' ' ' LEU . 84.4 mtm180 -83.2 106.15 14.76 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.565 -0.902 . . . . 3.7 108.565 172.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -109.45 134.26 52.08 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 2.56 111.25 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.793 HG21 HG23 ' A' ' 18' ' ' VAL . 30.5 p -107.73 117.32 33.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.169 -0.923 . . . . 1.84 109.122 176.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.501 ' HB2' ' HE1' ' A' ' 19' ' ' TYR . 18.6 t70 -100.09 -79.1 0.5 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.513 -0.475 . . . . 2.22 110.897 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.946 ' HB ' ' HD3' ' A' ' 17' ' ' LYS . 5.6 t -81.11 50.69 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 121.247 0.546 . . . . 3.42 111.304 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 47.23 60.01 3.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.038 -0.983 . . . . 6.33 112.712 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.41 -38.16 0.89 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.349 -0.929 . . . . 1.74 112.395 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.946 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 3.3 mptp? -74.41 101.48 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.669 -0.493 . . . . 3.4 109.669 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.793 HG23 HG21 ' A' ' 11' ' ' THR . 14.2 t -97.32 98.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 1.96 109.978 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.501 ' HE1' ' HB2' ' A' ' 12' ' ' ASP . 42.7 p90 -98.21 141.94 30.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.637 -0.505 . . . . 1.18 109.637 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.625 ' CD2' ' HG2' ' A' ' 9' ' ' ARG . 44.9 m-85 -98.22 117.59 32.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.382 -0.599 . . . . 0.93 109.382 -177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -115.04 119.65 37.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.62 -0.718 . . . . 1.02 111.291 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.51 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 46.5 t-20 -89.46 109.55 20.47 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.183 -1.043 . . . . 1.09 108.183 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.74 -18.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.531 . . . . 1.17 111.115 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.59 -40.8 22.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.207 -0.451 . . . . 3.79 111.486 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.4 p -102.48 -7.8 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 1.82 111.556 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.33 42.27 7.03 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 2.4 110.713 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -105.74 125.4 50.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.103 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.4 110.77 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 1.81 110.145 174.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -129.49 159.43 36.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 1.11 110.539 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -92.0 -3.44 55.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 0.73 109.3 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.39 123.65 28.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.263 -0.88 . . . . 2.85 109.486 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.63 143.01 98.48 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 3.7 109.822 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.888 ' HG2' ' HG ' ' A' ' 3' ' ' LEU . 8.3 Cg_exo -30.22 103.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 124.96 3.773 . . . . 0.96 114.19 -175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 p -79.03 103.68 9.14 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.879 -1.055 . . . . 2.98 111.221 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.59 112.16 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 5.53 110.387 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.6 mt 69.07 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 123.898 0.749 . . . . 4.58 111.289 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.9 mt -81.24 126.8 31.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 6.43 110.738 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.191 -0.909 . . . . 8.43 109.598 176.125 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 31.0 Cg_endo . . . . . 0 N--CA 1.457 -0.634 0 N-CA-C 111.325 -0.298 . . . . 0.62 111.325 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 86.9 Cg_exo -48.58 129.13 19.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.164 2.576 . . . . 0.72 112.796 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.487 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.16 17.34 22.81 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.572 -0.74 . . . . 0.35 111.845 -173.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 47.8 m95 -123.93 134.24 53.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.48 110.787 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -135.77 147.63 48.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.481 . . . . 1.84 109.78 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.623 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -117.66 125.06 50.04 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.585 -0.524 . . . . 3.2 109.585 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -122.9 140.98 52.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.942 -0.572 . . . . 2.27 110.843 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 121.004 0.43 . . . . 1.33 110.689 178.197 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 110.042 -0.355 . . . . 2.84 110.042 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -114.92 115.06 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.136 0.493 . . . . 1.37 110.626 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -105.2 148.26 27.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.108 0.48 . . . . 0.81 109.926 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.436 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 77.9 m-85 -106.02 126.44 52.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.422 0.629 . . . . 0.47 110.527 -173.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.425 ' HD1' ' HG1' ' A' ' 28' ' ' THR . 50.3 t80 -112.75 113.83 26.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.464 -0.789 . . . . 0.71 110.522 -175.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -78.58 100.43 6.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.981 -1.118 . . . . 0.79 107.981 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 18.4 t -66.65 -24.02 32.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.46 111.086 -174.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HG3' ' HA3' ' A' ' 6' ' ' GLY . 32.2 mtm180 -69.57 -42.47 74.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 3.29 111.025 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 p -108.69 3.43 22.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.481 -0.327 . . . . 1.33 111.454 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt 59.81 40.5 19.36 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.702 -0.681 . . . . 1.84 111.317 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -100.51 130.78 46.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.096 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.425 ' HG1' ' HD1' ' A' ' 21' ' ' PHE . 7.5 m -107.62 109.81 21.53 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.671 -0.492 . . . . 1.35 109.671 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 t -136.17 156.04 49.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.126 0.488 . . . . 0.46 111.26 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.95 45.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.572 0.701 . . . . 0.6 109.475 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -127.08 117.08 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.978 -1.01 . . . . 2.85 109.748 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 97.4 mtt180 -54.94 132.99 67.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 3.14 110.905 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD3' ' CD2' ' A' ' 20' ' ' TYR . 50.5 Cg_exo . . . . . 0 C--N 1.346 0.425 0 C-N-CA 122.782 2.321 . . . . 0.96 111.729 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 1.4 Cg_endo . . . . . 0 N--CA 1.46 -0.461 0 N-CA-C 111.678 -0.162 . . . . 0.62 111.678 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 81.9 Cg_exo -45.17 127.26 8.72 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.21 2.607 . . . . 0.72 112.477 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.24 -6.96 56.36 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.779 -0.646 . . . . 0.35 113.07 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 66.4 m95 -94.09 163.71 13.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.268 0.534 . . . . 0.48 111.081 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 7.5 tp10 -151.9 148.05 27.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 1.84 110.345 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 20' ' ' TYR . 15.4 ttm-85 -127.08 106.77 9.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 3.2 109.938 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 94.0 mtt180 -134.96 167.46 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.423 -0.214 . . . . 2.27 110.423 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 1.33 111.766 -178.38 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.428 -0.212 . . . . 2.84 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.17 111.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.085 0.469 . . . . 1.37 110.399 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -105.98 164.56 11.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 0.81 110.041 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 9' ' ' ARG . 63.7 m-85 -118.49 118.68 32.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.226 0.536 . . . . 0.47 109.989 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -109.47 115.44 29.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.553 -0.749 . . . . 0.71 110.582 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -87.33 105.38 17.21 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.69 -0.855 . . . . 0.79 108.69 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.84 -22.19 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.546 . . . . 0.46 110.948 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 23.0 mtp180 -73.78 -30.68 62.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 3.29 111.187 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.6 p -118.98 -4.6 10.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 1.33 111.624 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.83 26.98 16.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.595 -0.73 . . . . 1.84 111.021 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 m -94.28 133.23 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.65 111.188 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -107.56 110.51 22.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.967 -0.56 . . . . 1.35 109.557 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -130.07 161.78 30.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.192 -0.458 . . . . 0.46 110.581 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.01 7.77 44.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.28 0.562 . . . . 0.6 109.97 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -78.45 118.09 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 2.85 110.084 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 32' ' ' ARG . 15.4 ttm180 -72.03 118.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.745 -0.465 . . . . 3.14 109.745 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo . . . . . 0 C--N 1.345 0.388 0 C-N-CA 122.974 2.45 . . . . 0.96 112.652 -177.014 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.492 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 82.8 Cg_exo . . . . . 0 N--CA 1.462 -0.342 0 N-CA-C 111.638 -0.178 . . . . 0.62 111.638 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.5 118.95 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.779 2.32 . . . . 0.72 112.025 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.28 17.72 19.17 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.829 -0.701 . . . . 0.35 112.676 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.492 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 53.3 m95 -112.55 150.34 31.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.785 -0.45 . . . . 0.48 109.785 169.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' A' ' 10' ' ' ARG . 20.2 tt0 -157.93 140.95 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.591 -0.277 . . . . 1.84 110.321 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -94.62 120.63 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.291 -0.633 . . . . 3.2 109.291 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' A' ' 8' ' ' GLU . 99.5 mtt180 -126.69 137.86 53.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.875 0.369 . . . . 2.27 110.927 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 37.0 p . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 1.33 110.674 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 mttp . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.79 0.329 . . . . 2.84 110.427 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.81 100.09 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.72 0.771 . . . . 1.37 110.516 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -95.06 153.25 17.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 0.81 109.414 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -103.01 118.02 35.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.756 -0.461 . . . . 0.47 109.756 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HD2' HG22 ' A' ' 23' ' ' VAL . 59.1 t80 -100.11 116.98 33.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.869 -0.605 . . . . 0.71 110.516 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' ND2' HH21 ' A' ' 24' ' ' ARG . 56.8 t-20 -80.99 90.58 5.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.112 -0.949 . . . . 0.79 108.601 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG22 ' HD2' ' A' ' 21' ' ' PHE . 20.8 t -64.52 -29.6 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.144 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.498 HH21 ' ND2' ' A' ' 22' ' ' ASN . 72.4 mtm180 -58.84 -54.93 41.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.571 -0.741 . . . . 3.29 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -98.02 0.57 46.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 1.33 111.702 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp 60.37 58.52 2.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.984 -0.553 . . . . 1.84 110.81 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 m -145.16 138.79 26.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.621 -0.263 . . . . 0.65 110.963 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 4.6 t -106.89 127.15 53.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.547 . . . . 1.35 109.805 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -140.67 163.51 32.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.46 110.639 -172.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.0 m95 -101.01 11.83 38.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.6 110.273 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.76 134.46 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 2.85 109.918 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 81.3 mtt180 -67.55 137.65 93.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 3.14 110.398 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.236 0.394 0 C-N-CA 122.747 2.298 . . . . 0.96 112.017 174.549 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 50.4 Cg_exo . . . . . 0 C--O 1.236 0.419 0 CA-C-O 120.67 0.196 . . . . 0.62 111.934 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.7 129.68 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.666 2.244 . . . . 0.72 111.189 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.2 -0.23 54.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.908 -0.663 . . . . 0.35 112.684 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 44.3 m95 -95.83 120.94 36.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.414 0.607 . . . . 0.48 110.297 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -125.87 135.67 52.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.315 -0.402 . . . . 1.84 110.055 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -97.14 111.29 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.877 -0.416 . . . . 3.2 109.877 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -121.59 142.16 50.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.291 -0.413 . . . . 2.27 109.943 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 2.6 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.395 0.617 . . . . 1.33 111.527 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.63 ' HB3' ' HH2' ' A' ' 30' ' ' TRP . 8.6 mtmp? . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 2.84 109.588 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 2.7 p -82.97 107.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.624 0.726 . . . . 1.37 110.778 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -103.71 173.31 6.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.989 -1.005 . . . . 0.81 109.515 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -115.14 117.86 31.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.375 0.607 . . . . 0.47 110.016 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -103.06 113.54 27.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.375 -0.829 . . . . 0.71 109.936 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -83.36 93.7 7.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.538 -0.756 . . . . 0.79 109.142 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.89 -28.21 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.441 -0.8 . . . . 0.46 110.82 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 24' ' ' ARG . 31.2 mtm180 -57.74 -40.13 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.475 -0.784 . . . . 3.29 111.337 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -118.89 4.36 11.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.601 0.239 . . . . 1.33 111.623 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt 55.31 61.88 2.71 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.798 -0.637 . . . . 1.84 110.588 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 m -130.49 139.04 50.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.092 -0.504 . . . . 0.65 111.178 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -107.43 122.09 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 1.35 110.215 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -148.51 158.64 44.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.94 0.4 . . . . 0.46 111.008 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.63 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.6 m95 -96.89 41.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.34 0.59 . . . . 0.6 110.425 177.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.69 120.1 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.595 -0.73 . . . . 2.85 109.793 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HG3' ' HD2' ' A' ' 33' ' ' PRO . 36.1 ttp180 -62.52 135.26 95.42 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 3.14 110.46 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.437 ' HD2' ' HG3' ' A' ' 32' ' ' ARG . 86.1 Cg_exo . . . . . 0 N--CA 1.462 -0.349 0 C-N-CA 123.428 2.752 . . . . 0.96 113.396 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 7.6 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.239 -0.331 . . . . 0.62 111.239 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 46.8 Cg_exo -56.63 138.88 86.58 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.605 2.203 . . . . 0.72 111.401 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.08 -1.77 51.23 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.705 -0.76 . . . . 0.35 112.092 -173.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.29 135.28 44.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.685 0.278 . . . . 0.48 110.273 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 3.9 tp10 -115.76 133.24 56.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.532 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 20' ' ' TYR . 71.3 mtm180 -110.66 106.62 15.92 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.795 -0.446 . . . . 3.2 109.795 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 99.5 mtt180 -127.11 160.77 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.283 -0.266 . . . . 2.27 110.283 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 120.918 0.389 . . . . 1.33 111.125 -176.856 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.458 -0.201 . . . . 2.84 110.458 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.4 110.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.438 0.637 . . . . 1.37 110.9 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -98.16 151.94 19.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.666 . . . . 0.81 109.601 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' HG2' ' A' ' 9' ' ' ARG . 87.2 m-85 -112.63 119.1 36.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.298 0.57 . . . . 0.47 110.458 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 75.3 t80 -110.22 122.04 46.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.376 -0.829 . . . . 0.71 110.54 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HB3' ' H ' ' A' ' 27' ' ' THR . 56.0 t-20 -79.02 107.21 11.62 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.769 -0.826 . . . . 0.79 108.769 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.37 -19.05 18.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.196 0.522 . . . . 0.46 110.778 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -80.53 -56.1 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.764 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.93 -7.4 43.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.559 . . . . 1.33 111.652 -175.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp 64.34 36.3 9.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.8 -0.636 . . . . 1.84 111.199 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.456 ' H ' ' HB3' ' A' ' 22' ' ' ASN . 18.7 m -98.88 124.96 44.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.233 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.504 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 7.6 t -108.35 125.27 51.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.088 0.47 . . . . 1.35 109.909 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -146.38 168.02 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.46 111.03 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -103.04 8.11 38.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.733 -0.667 . . . . 0.6 110.086 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.85 116.04 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.85 109.914 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 32' ' ' ARG . 29.7 ttp180 -68.2 129.76 92.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.141 -0.481 . . . . 3.14 109.987 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.94 2.427 . . . . 0.96 112.661 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HG2' ' HD1' ' A' ' 7' ' ' TRP . 27.5 Cg_endo . . . . . 0 N--CA 1.458 -0.609 0 CA-C-O 120.617 0.174 . . . . 0.62 111.865 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -46.98 135.92 17.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.89 3.06 . . . . 0.72 112.695 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.69 -4.18 53.51 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.679 -0.691 . . . . 0.35 112.212 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 46.5 m95 -98.24 138.37 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.94 0.4 . . . . 0.48 110.386 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -142.25 129.44 20.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.615 . . . . 1.84 110.942 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 9' ' ' ARG . 32.0 ttm180 -93.11 118.74 31.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 3.2 110.092 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -120.32 152.07 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 2.27 110.7 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 18' ' ' VAL . 2.2 p . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.136 -0.484 . . . . 1.33 110.499 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.158 -1.053 . . . . 2.84 108.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -79.54 97.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.253 -0.43 . . . . 1.37 110.456 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -102.88 145.01 30.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.117 0.484 . . . . 0.81 109.829 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -109.25 124.12 50.37 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.775 -0.648 . . . . 0.47 110.011 -174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HZ ' HD12 ' A' ' 26' ' ' LEU . 75.7 t80 -102.0 112.06 24.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.774 -0.648 . . . . 0.71 110.501 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 40.1 t30 -89.28 96.6 10.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.706 -0.679 . . . . 0.79 109.368 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.71 -31.01 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.069 -0.969 . . . . 0.46 110.953 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -54.7 -53.63 52.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 3.29 111.354 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -102.33 7.8 40.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 1.33 111.385 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 23.5 tp 56.46 47.84 18.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.448 -0.796 . . . . 1.84 110.02 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 m -121.76 138.52 54.33 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -107.4 126.45 52.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.219 -0.66 . . . . 1.35 109.219 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -147.75 162.92 38.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.801 0.334 . . . . 0.46 110.786 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -94.68 32.56 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.371 0.605 . . . . 0.6 109.681 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -104.53 116.68 32.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.325 -0.852 . . . . 2.85 110.729 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 26.7 ptt180 -69.26 131.93 90.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 3.14 109.871 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 41.3 Cg_exo . . . . . 0 C--N 1.346 0.441 0 C-N-CA 123.016 2.478 . . . . 0.96 112.863 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 77.1 Cg_endo . . . . . 0 N--CA 1.457 -0.619 0 CA-C-O 120.974 0.322 . . . . 0.62 112.642 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 33.5 Cg_exo -59.84 152.52 63.27 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.806 2.337 . . . . 0.72 111.877 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.442 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 100.63 -13.39 59.53 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.851 -0.69 . . . . 0.35 111.88 -175.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 93.8 m95 -95.21 149.95 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.273 . . . . 0.48 110.764 173.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.79 157.88 41.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.361 -0.381 . . . . 1.84 110.048 168.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HG3' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -111.45 121.96 46.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 3.2 109.599 -173.378 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -125.98 158.5 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.056 0.455 . . . . 2.27 111.633 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 1.33 109.879 177.03 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 47.4 mmtm . . . . . 0 CA--C 1.516 -0.333 0 N-CA-C 109.545 -0.539 . . . . 2.84 109.545 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.76 98.85 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 1.37 110.27 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -91.19 138.24 31.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.415 -0.587 . . . . 0.81 109.415 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.626 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 85.6 m-85 -100.35 118.82 37.4 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.751 -0.658 . . . . 0.47 110.158 -174.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -99.41 115.81 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.646 -0.707 . . . . 0.71 110.416 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -88.89 96.43 10.7 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.56 -0.904 . . . . 0.79 108.56 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.16 -28.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.852 0.358 . . . . 0.46 110.974 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 17.6 mtp180 -57.13 -42.26 80.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 3.29 110.986 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -119.1 9.13 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 1.33 110.702 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.3 50.85 18.11 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.952 -1.022 . . . . 1.84 111.792 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 m -125.02 146.64 49.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.225 -0.443 . . . . 0.65 110.813 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.4 132.29 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.957 0.408 . . . . 1.35 111.252 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -136.42 171.44 14.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.204 -0.453 . . . . 0.46 110.042 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 96.6 m95 -120.35 14.26 12.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.132 0.491 . . . . 0.6 110.503 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -103.52 148.96 25.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 2.85 109.593 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 82.7 mtm180 -80.17 131.64 62.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 3.14 110.521 -177.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 2.9 Cg_exo . . . . . 0 N--CA 1.459 -0.516 0 C-N-CA 122.778 2.318 . . . . 0.96 112.025 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 6.0 Cg_exo . . . . . 0 N--CA 1.455 -0.78 0 N-CA-C 111.528 -0.22 . . . . 0.62 111.528 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.428 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.2 Cg_endo -53.51 123.65 13.85 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.823 2.349 . . . . 0.72 111.943 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.58 -4.46 56.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.35 113.237 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 85.8 m95 -102.31 139.66 37.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.973 0.386 . . . . 0.48 110.882 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.26 131.09 38.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 1.84 109.791 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -96.44 106.41 18.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.027 -0.731 . . . . 3.2 109.027 178.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -112.81 173.21 6.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.225 -0.443 . . . . 2.27 110.042 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 121.003 0.43 . . . . 1.33 110.664 179.533 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 109.124 -0.695 . . . . 2.84 109.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.02 113.38 22.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 1.37 111.329 -177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -103.66 144.61 31.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.045 -0.724 . . . . 0.81 109.045 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -102.03 118.45 36.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.443 0.639 . . . . 0.47 110.782 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -105.94 119.28 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.967 -1.015 . . . . 0.71 110.452 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 25.9 t-20 -93.18 110.07 21.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.595 -0.729 . . . . 0.79 109.591 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -72.31 -25.41 23.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.455 0.645 . . . . 0.46 110.669 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.5 mtp180 -62.71 -55.13 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.285 -0.87 . . . . 3.29 111.829 -174.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -111.42 9.42 21.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.103 0.409 . . . . 1.33 112.103 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 tp 60.68 57.55 2.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.389 0.614 . . . . 1.84 110.036 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 22' ' ' ASN . 22.9 m -118.58 133.18 56.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.863 -0.608 . . . . 0.65 111.67 -173.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 p -109.22 123.13 48.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.198 -0.456 . . . . 1.35 110.589 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -140.45 149.43 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.46 111.077 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -102.47 52.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.6 110.043 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -147.72 124.64 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.258 -0.883 . . . . 2.85 109.652 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 10.9 ptt180 -65.76 131.25 94.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 3.14 110.718 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 19.5 Cg_exo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 123.431 2.754 . . . . 0.96 113.194 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 N--CA 1.455 -0.776 0 N-CA-C 110.863 -0.476 . . . . 0.62 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.5 Cg_endo -53.04 140.93 58.81 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.078 2.519 . . . . 0.72 112.284 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.06 52.96 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.856 -0.687 . . . . 0.35 112.673 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -97.74 121.79 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.799 0.333 . . . . 0.48 110.248 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 7.3 tp10 -103.71 118.38 36.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.235 -0.439 . . . . 1.84 110.156 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -109.69 106.2 15.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.995 -0.548 . . . . 3.2 109.783 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -141.94 164.16 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 2.27 111.043 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 13.7 p . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 1.33 109.989 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.106 -0.702 . . . . 2.84 109.106 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -99.44 115.23 39.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.216 0.531 . . . . 1.37 111.299 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -96.9 151.3 19.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.79 -0.641 . . . . 0.81 109.58 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -114.6 117.81 31.94 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.22 0.533 . . . . 0.47 109.575 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 13.9 t80 -112.38 106.26 14.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.46 -0.791 . . . . 0.71 110.832 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.62 95.61 4.62 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.178 -1.045 . . . . 0.79 108.178 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.09 -32.62 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 0.46 110.812 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.4 mtp180 -63.67 -35.15 79.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 3.29 111.751 -173.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -114.1 2.06 14.8 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 1.33 111.59 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 tp 59.12 69.62 0.71 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.423 -0.808 . . . . 1.84 110.973 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.6 m -142.61 127.14 17.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.084 -0.385 . . . . 0.65 111.215 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -107.91 112.8 25.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 1.35 110.388 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -131.7 170.0 15.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.154 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -98.99 3.16 46.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.486 0.66 . . . . 0.6 109.427 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -84.08 127.3 33.81 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.075 -0.966 . . . . 2.85 110.373 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.02 155.28 44.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 3.14 110.313 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--N 1.35 0.606 0 C-N-CA 123.379 2.719 . . . . 0.96 113.206 -179.884 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 19.6 Cg_endo . . . . . 0 N--CA 1.443 -1.448 0 N-CA-C 110.668 -0.551 . . . . 0.62 110.668 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -41.9 132.25 4.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.456 2.77 . . . . 0.72 112.453 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.76 -12.26 56.36 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.672 -0.695 . . . . 0.35 112.27 -173.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 85.4 m95 -99.47 120.94 40.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.977 0.417 . . . . 0.48 110.72 173.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.47 121.83 37.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.73 -0.668 . . . . 1.84 110.749 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' A' ' 20' ' ' TYR . 84.4 mtm180 -83.2 106.15 14.76 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.565 -0.902 . . . . 3.2 108.565 172.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -109.45 134.26 52.08 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 2.27 111.25 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.81 HG22 HG22 ' A' ' 18' ' ' VAL . 30.5 p . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.169 -0.923 . . . . 1.33 109.122 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 3.3 mptp? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.669 -0.493 . . . . 2.84 109.669 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.81 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -97.32 98.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 1.37 109.978 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -98.21 141.94 30.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.637 -0.505 . . . . 0.81 109.637 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.636 ' CD2' ' HG2' ' A' ' 9' ' ' ARG . 44.9 m-85 -98.22 117.59 32.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.382 -0.599 . . . . 0.47 109.382 -177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CD1' HG23 ' A' ' 28' ' ' THR . 49.1 t80 -115.04 119.65 37.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.62 -0.718 . . . . 0.71 111.291 -173.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 46.5 t-20 -89.46 109.55 20.47 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.183 -1.043 . . . . 0.79 108.183 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.74 -18.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.531 . . . . 0.46 111.115 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.59 -40.8 22.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.207 -0.451 . . . . 3.29 111.486 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.4 p -102.48 -7.8 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 1.33 111.556 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.33 42.27 7.03 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 1.84 110.713 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -105.74 125.4 50.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 0.65 111.103 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -108.4 110.77 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 1.35 110.145 174.317 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -129.49 159.43 36.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.539 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -92.0 -3.44 55.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 0.6 109.3 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.39 123.65 28.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.263 -0.88 . . . . 2.85 109.486 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.63 143.01 98.48 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 3.14 109.822 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 124.96 3.773 . . . . 0.96 114.19 -175.063 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 109.732 -0.469 . . . . 4.62 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.07 156.48 38.32 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.583 2.189 . . . . 2.07 112.522 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -109.29 102.99 51.4 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.12 -0.696 . . . . 1.86 109.12 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 31.0 Cg_endo -65.22 145.04 83.18 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.407 2.071 . . . . 0.62 111.325 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 86.9 Cg_exo -48.58 129.13 19.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.164 2.576 . . . . 0.72 112.796 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.16 17.34 22.81 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.572 -0.74 . . . . 0.35 111.845 -173.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 47.8 m95 -123.93 134.24 53.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.48 110.787 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -135.77 147.63 48.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.481 . . . . 1.84 109.78 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.623 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -117.66 125.06 50.04 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.585 -0.524 . . . . 3.2 109.585 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -122.9 140.98 52.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.942 -0.572 . . . . 2.27 110.843 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -98.6 135.29 40.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.004 0.43 . . . . 1.33 110.689 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -94.2 171.12 9.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.05 -0.523 . . . . 2.22 109.595 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.35 -28.5 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 120.801 0.334 . . . . 2.93 111.082 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.33 -9.8 36.62 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.381 -0.372 . . . . 6.33 111.632 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.91 8.48 72.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 1.65 111.55 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -89.77 150.47 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.435 -0.382 . . . . 2.84 110.042 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -114.92 115.06 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.136 0.493 . . . . 1.37 110.626 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -105.2 148.26 27.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.108 0.48 . . . . 0.81 109.926 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.436 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 77.9 m-85 -106.02 126.44 52.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.422 0.629 . . . . 0.47 110.527 -173.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.425 ' HD1' ' HG1' ' A' ' 28' ' ' THR . 50.3 t80 -112.75 113.83 26.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.464 -0.789 . . . . 0.71 110.522 -175.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -78.58 100.43 6.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.981 -1.118 . . . . 0.79 107.981 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 18.4 t -66.65 -24.02 32.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.46 111.086 -174.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HG3' ' HA3' ' A' ' 6' ' ' GLY . 32.2 mtm180 -69.57 -42.47 74.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 3.29 111.025 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 p -108.69 3.43 22.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.481 -0.327 . . . . 1.33 111.454 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt 59.81 40.5 19.36 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.702 -0.681 . . . . 1.84 111.317 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -100.51 130.78 46.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.096 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.425 ' HG1' ' HD1' ' A' ' 21' ' ' PHE . 7.5 m -107.62 109.81 21.53 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.671 -0.492 . . . . 1.35 109.671 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 t -136.17 156.04 49.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.126 0.488 . . . . 0.46 111.26 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.95 45.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.572 0.701 . . . . 0.6 109.475 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -127.08 117.08 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.978 -1.01 . . . . 2.85 109.748 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 97.4 mtt180 -54.94 132.99 67.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 3.14 110.905 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD3' ' CD2' ' A' ' 20' ' ' TYR . 50.5 Cg_exo -54.36 112.52 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.782 2.321 . . . . 0.96 111.729 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 p -81.96 172.97 12.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.779 -0.646 . . . . 2.73 110.84 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.93 86.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.923 -0.58 . . . . 5.11 110.017 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp 74.0 132.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 114.688 -1.142 . . . . 4.05 110.744 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 tp -128.8 124.46 35.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.999 -0.546 . . . . 6.01 109.797 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.548 -0.739 . . . . 8.43 109.964 179.23 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 109.514 -0.551 . . . . 4.62 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.465 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 87.5 Cg_endo -77.43 146.13 24.33 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.914 2.409 . . . . 2.07 113.674 -169.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 82.8 mt -127.66 85.06 61.67 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.217 -0.901 . . . . 1.86 109.054 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 1.4 Cg_endo -51.35 145.11 28.76 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.807 2.338 . . . . 0.62 111.678 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 81.9 Cg_exo -45.17 127.26 8.72 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.21 2.607 . . . . 0.72 112.477 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.24 -6.96 56.36 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.779 -0.646 . . . . 0.35 113.07 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 66.4 m95 -94.09 163.71 13.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.268 0.534 . . . . 0.48 111.081 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 7.5 tp10 -151.9 148.05 27.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 1.84 110.345 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 20' ' ' TYR . 15.4 ttm-85 -127.08 106.77 9.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 3.2 109.938 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 94.0 mtt180 -134.96 167.46 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.423 -0.214 . . . . 2.27 110.423 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -103.59 132.06 50.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 1.33 111.766 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.68 172.08 12.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.254 -0.884 . . . . 2.22 110.517 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.27 -36.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.746 0.308 . . . . 2.93 111.148 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.44 -4.65 31.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.925 0.393 . . . . 6.33 111.525 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.81 4.24 72.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.042 -0.599 . . . . 1.65 111.928 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.92 126.43 31.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.228 . . . . 2.84 110.428 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.17 111.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.085 0.469 . . . . 1.37 110.399 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -105.98 164.56 11.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 0.81 110.041 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 9' ' ' ARG . 63.7 m-85 -118.49 118.68 32.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.226 0.536 . . . . 0.47 109.989 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -109.47 115.44 29.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.553 -0.749 . . . . 0.71 110.582 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -87.33 105.38 17.21 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.69 -0.855 . . . . 0.79 108.69 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.84 -22.19 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.546 . . . . 0.46 110.948 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 23.0 mtp180 -73.78 -30.68 62.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 3.29 111.187 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.6 p -118.98 -4.6 10.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 1.33 111.624 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.83 26.98 16.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.595 -0.73 . . . . 1.84 111.021 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 m -94.28 133.23 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.65 111.188 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -107.56 110.51 22.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.967 -0.56 . . . . 1.35 109.557 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -130.07 161.78 30.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.192 -0.458 . . . . 0.46 110.581 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.01 7.77 44.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.28 0.562 . . . . 0.6 109.97 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -78.45 118.09 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 2.85 110.084 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 32' ' ' ARG . 15.4 ttm180 -72.03 118.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.745 -0.465 . . . . 3.14 109.745 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.03 109.6 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.974 2.45 . . . . 0.96 112.652 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -115.99 -14.56 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 2.73 110.06 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.616 HG22 HG13 ' A' ' 36' ' ' ILE . 71.0 mt -77.22 136.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.542 -0.753 . . . . 5.11 109.882 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.616 HG13 HG22 ' A' ' 35' ' ' ILE . 70.2 mt 74.65 96.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 O-C-N 124.075 0.859 . . . . 4.05 109.407 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.05 157.04 20.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.25 -0.886 . . . . 6.01 111.538 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 2' ' ' PRO . 8.4 pt-20 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.249 -0.887 . . . . 8.43 109.147 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.748 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 60.5 mtt . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 111.533 0.197 . . . . 4.62 111.533 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.748 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 16.9 Cg_exo -68.65 148.04 71.22 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.046 1.83 . . . . 2.07 111.343 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.7 mt -134.98 91.63 19.55 Favored Pre-proline 0 N--CA 1.446 -0.674 0 N-CA-C 108.704 -0.85 . . . . 1.86 108.704 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.492 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 82.8 Cg_exo -47.99 140.11 19.2 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.866 2.377 . . . . 0.62 111.638 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.5 118.95 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.779 2.32 . . . . 0.72 112.025 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.28 17.72 19.17 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.829 -0.701 . . . . 0.35 112.676 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.492 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 53.3 m95 -112.55 150.34 31.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.785 -0.45 . . . . 0.48 109.785 169.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' A' ' 10' ' ' ARG . 20.2 tt0 -157.93 140.95 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.591 -0.277 . . . . 1.84 110.321 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -94.62 120.63 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.291 -0.633 . . . . 3.2 109.291 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' A' ' 8' ' ' GLU . 99.5 mtt180 -126.69 137.86 53.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.875 0.369 . . . . 2.27 110.927 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 37.0 p -108.42 127.9 54.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 1.33 110.674 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.539 ' OD1' ' HB2' ' A' ' 17' ' ' LYS . 4.1 p-10 -84.79 -168.47 2.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 2.22 110.881 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.78 -35.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.717 0.294 . . . . 2.93 111.765 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -71.36 -21.93 61.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.953 0.406 . . . . 6.33 110.807 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.6 1.78 53.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.797 -0.716 . . . . 1.65 112.104 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 mttp -71.75 130.54 41.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.79 0.329 . . . . 2.84 110.427 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.81 100.09 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.72 0.771 . . . . 1.37 110.516 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -95.06 153.25 17.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 0.81 109.414 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -103.01 118.02 35.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.756 -0.461 . . . . 0.47 109.756 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HD2' HG22 ' A' ' 23' ' ' VAL . 59.1 t80 -100.11 116.98 33.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.869 -0.605 . . . . 0.71 110.516 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' ND2' HH21 ' A' ' 24' ' ' ARG . 56.8 t-20 -80.99 90.58 5.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.112 -0.949 . . . . 0.79 108.601 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG22 ' HD2' ' A' ' 21' ' ' PHE . 20.8 t -64.52 -29.6 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.144 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.498 HH21 ' ND2' ' A' ' 22' ' ' ASN . 72.4 mtm180 -58.84 -54.93 41.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.571 -0.741 . . . . 3.29 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -98.02 0.57 46.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 1.33 111.702 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp 60.37 58.52 2.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.984 -0.553 . . . . 1.84 110.81 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 m -145.16 138.79 26.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.621 -0.263 . . . . 0.65 110.963 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 4.6 t -106.89 127.15 53.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.547 . . . . 1.35 109.805 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -140.67 163.51 32.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.46 110.639 -172.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.0 m95 -101.01 11.83 38.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.6 110.273 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.76 134.46 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 2.85 109.918 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 81.3 mtt180 -67.55 137.65 93.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 3.14 110.398 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.34 103.81 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.747 2.298 . . . . 0.96 112.017 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 p -97.8 116.17 29.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.707 -0.679 . . . . 2.73 110.776 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.653 HG12 HG13 ' A' ' 36' ' ' ILE . 14.7 tt -81.2 137.71 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.752 -0.462 . . . . 5.11 109.752 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.653 HG13 HG12 ' A' ' 35' ' ' ILE . 64.6 mt 65.55 90.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.375 0.607 . . . . 4.05 110.056 -176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.94 100.97 6.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.912 -0.585 . . . . 6.01 110.876 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.434 -0.803 . . . . 8.43 110.053 177.496 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.841 0.353 . . . . 4.62 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.527 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 44.0 Cg_endo -69.46 129.47 17.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.395 2.064 . . . . 2.07 111.889 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 33' ' ' PRO . 96.3 mt -135.32 78.8 50.78 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.568 -0.53 . . . . 1.86 109.568 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 50.4 Cg_exo -56.13 144.53 79.98 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.014 2.476 . . . . 0.62 111.934 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.7 129.68 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.666 2.244 . . . . 0.72 111.189 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.2 -0.23 54.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.908 -0.663 . . . . 0.35 112.684 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 44.3 m95 -95.83 120.94 36.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.414 0.607 . . . . 0.48 110.297 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -125.87 135.67 52.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.315 -0.402 . . . . 1.84 110.055 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -97.14 111.29 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.877 -0.416 . . . . 3.2 109.877 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -121.59 142.16 50.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.291 -0.413 . . . . 2.27 109.943 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 2.6 t -122.88 148.17 45.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.395 0.617 . . . . 1.33 111.527 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -74.91 173.14 11.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.064 -0.971 . . . . 2.22 110.197 174.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.6 -47.92 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.387 . . . . 2.93 111.099 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.72 -27.2 69.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.841 -0.618 . . . . 6.33 111.487 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.12 21.3 3.48 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.214 -0.993 . . . . 1.65 112.8 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.63 ' HB3' ' HH2' ' A' ' 30' ' ' TRP . 8.6 mtmp? -82.24 91.79 6.81 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.588 -0.523 . . . . 2.84 109.588 174.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 2.7 p -82.97 107.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.624 0.726 . . . . 1.37 110.778 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -103.71 173.31 6.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.989 -1.005 . . . . 0.81 109.515 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -115.14 117.86 31.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.375 0.607 . . . . 0.47 110.016 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -103.06 113.54 27.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.375 -0.829 . . . . 0.71 109.936 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -83.36 93.7 7.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.538 -0.756 . . . . 0.79 109.142 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.89 -28.21 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.441 -0.8 . . . . 0.46 110.82 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 24' ' ' ARG . 31.2 mtm180 -57.74 -40.13 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.475 -0.784 . . . . 3.29 111.337 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -118.89 4.36 11.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.601 0.239 . . . . 1.33 111.623 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt 55.31 61.88 2.71 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.798 -0.637 . . . . 1.84 110.588 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 m -130.49 139.04 50.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.092 -0.504 . . . . 0.65 111.178 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -107.43 122.09 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 1.35 110.215 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -148.51 158.64 44.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.94 0.4 . . . . 0.46 111.008 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.63 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.6 m95 -96.89 41.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.34 0.59 . . . . 0.6 110.425 177.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.69 120.1 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.595 -0.73 . . . . 2.85 109.793 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HG3' ' HD2' ' A' ' 33' ' ' PRO . 36.1 ttp180 -62.52 135.26 95.42 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 3.14 110.46 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HB2' HD23 ' A' ' 3' ' ' LEU . 86.1 Cg_exo -43.98 127.23 6.6 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 123.428 2.752 . . . . 0.96 113.396 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.527 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 6.1 t -130.87 148.36 52.63 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.932 -1.031 . . . . 2.73 108.268 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.3 tp -77.59 97.3 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.677 0.751 . . . . 5.11 110.439 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.51 138.55 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.922 -1.035 . . . . 4.05 110.161 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.73 92.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.244 0.545 . . . . 6.01 109.763 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 115.33 -0.85 . . . . 8.43 109.538 -176.856 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.022 -0.362 . . . . 4.62 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.92 128.25 18.43 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.608 2.205 . . . . 2.07 112.121 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.6 mt -135.22 105.0 10.27 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.098 -0.501 . . . . 1.86 110.523 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 7.6 Cg_endo -82.27 140.45 10.98 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.835 2.357 . . . . 0.62 111.239 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 46.8 Cg_exo -56.63 138.88 86.58 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.605 2.203 . . . . 0.72 111.401 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.08 -1.77 51.23 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.705 -0.76 . . . . 0.35 112.092 -173.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.29 135.28 44.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.685 0.278 . . . . 0.48 110.273 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 3.9 tp10 -115.76 133.24 56.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.532 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 20' ' ' TYR . 71.3 mtm180 -110.66 106.62 15.92 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.795 -0.446 . . . . 3.2 109.795 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 99.5 mtt180 -127.11 160.77 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.283 -0.266 . . . . 2.27 110.283 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -114.29 132.42 56.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.918 0.389 . . . . 1.33 111.125 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.48 172.56 12.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.239 -0.652 . . . . 2.22 109.239 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.4 t -59.82 -27.55 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.948 0.404 . . . . 2.93 110.963 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.04 -10.05 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 6.33 111.902 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 16.96 66.22 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.976 -0.849 . . . . 1.65 110.976 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -101.73 131.75 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.324 . . . . 2.84 110.458 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.4 110.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.438 0.637 . . . . 1.37 110.9 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -98.16 151.94 19.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.666 . . . . 0.81 109.601 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' HG2' ' A' ' 9' ' ' ARG . 87.2 m-85 -112.63 119.1 36.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.298 0.57 . . . . 0.47 110.458 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 75.3 t80 -110.22 122.04 46.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.376 -0.829 . . . . 0.71 110.54 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HB3' ' H ' ' A' ' 27' ' ' THR . 56.0 t-20 -79.02 107.21 11.62 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.769 -0.826 . . . . 0.79 108.769 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.37 -19.05 18.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.196 0.522 . . . . 0.46 110.778 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -80.53 -56.1 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.764 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.93 -7.4 43.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.559 . . . . 1.33 111.652 -175.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp 64.34 36.3 9.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.8 -0.636 . . . . 1.84 111.199 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.456 ' H ' ' HB3' ' A' ' 22' ' ' ASN . 18.7 m -98.88 124.96 44.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.233 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.504 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 7.6 t -108.35 125.27 51.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.088 0.47 . . . . 1.35 109.909 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -146.38 168.02 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.46 111.03 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -103.04 8.11 38.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.733 -0.667 . . . . 0.6 110.086 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.85 116.04 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.85 109.914 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 32' ' ' ARG . 29.7 ttp180 -68.2 129.76 92.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.141 -0.481 . . . . 3.14 109.987 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.14 124.57 14.25 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.94 2.427 . . . . 0.96 112.661 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -161.2 -35.95 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.278 -0.873 . . . . 2.73 109.735 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 35' ' ' ILE . 18.9 pt -87.3 95.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 5.11 110.011 172.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -79.5 128.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.072 -0.513 . . . . 4.05 110.229 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.83 107.25 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 6.01 110.014 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.296 -0.859 . . . . 8.43 110.143 -178.064 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.817 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 24.7 ttt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 119.811 -0.138 . . . . 4.62 110.756 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.817 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 2.9 Cg_exo -77.05 129.89 10.86 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.783 1.655 . . . . 2.07 110.762 173.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.62 117.67 22.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.102 -0.703 . . . . 1.86 109.102 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HG2' ' HD1' ' A' ' 7' ' ' TRP . 27.5 Cg_endo -64.14 142.58 81.04 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.821 2.347 . . . . 0.62 111.865 -173.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -46.98 135.92 17.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.89 3.06 . . . . 0.72 112.695 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.69 -4.18 53.51 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.679 -0.691 . . . . 0.35 112.212 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 46.5 m95 -98.24 138.37 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.94 0.4 . . . . 0.48 110.386 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -142.25 129.44 20.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.615 . . . . 1.84 110.942 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 9' ' ' ARG . 32.0 ttm180 -93.11 118.74 31.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 3.2 110.092 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -120.32 152.07 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 2.27 110.7 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 18' ' ' VAL . 2.2 p -116.32 118.4 32.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.136 -0.484 . . . . 1.33 110.499 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.762 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 2.9 t70 -81.63 -143.46 0.05 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 2.22 109.833 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.9 m -58.24 90.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.967 0.729 . . . . 2.93 112.967 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 76.95 -29.29 0.17 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.455 -1.248 . . . . 6.33 113.946 165.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.49 31.23 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.232 -1.461 . . . . 1.65 113.521 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 43.8 mmtm -101.52 88.55 3.46 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.158 -1.053 . . . . 2.84 108.158 173.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -79.54 97.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.253 -0.43 . . . . 1.37 110.456 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -102.88 145.01 30.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.117 0.484 . . . . 0.81 109.829 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -109.25 124.12 50.37 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.775 -0.648 . . . . 0.47 110.011 -174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HZ ' HD12 ' A' ' 26' ' ' LEU . 75.7 t80 -102.0 112.06 24.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.774 -0.648 . . . . 0.71 110.501 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 40.1 t30 -89.28 96.6 10.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.706 -0.679 . . . . 0.79 109.368 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.71 -31.01 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.069 -0.969 . . . . 0.46 110.953 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -54.7 -53.63 52.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 3.29 111.354 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -102.33 7.8 40.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 1.33 111.385 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 23.5 tp 56.46 47.84 18.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.448 -0.796 . . . . 1.84 110.02 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 m -121.76 138.52 54.33 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -107.4 126.45 52.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.219 -0.66 . . . . 1.35 109.219 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -147.75 162.92 38.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.801 0.334 . . . . 0.46 110.786 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -94.68 32.56 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.371 0.605 . . . . 0.6 109.681 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -104.53 116.68 32.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.325 -0.852 . . . . 2.85 110.729 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 26.7 ptt180 -69.26 131.93 90.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 3.14 109.871 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 41.3 Cg_exo -59.19 99.23 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.016 2.478 . . . . 0.96 112.863 -178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -106.77 -1.0 23.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.067 -0.969 . . . . 2.73 109.115 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.27 136.96 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.159 -1.382 . . . . 5.11 110.179 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 pt -129.76 147.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.972 -0.558 . . . . 4.05 109.601 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.7 pt? -63.28 131.46 48.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 6.01 110.401 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.549 -0.739 . . . . 8.43 109.677 -178.585 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 34' ' ' THR . 50.5 ttm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 4.62 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.819 ' HG2' ' HB ' ' A' ' 35' ' ' ILE . 38.5 Cg_endo -66.78 143.73 68.52 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.798 2.332 . . . . 2.07 113.028 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -133.11 138.84 32.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.389 -0.967 . . . . 1.86 108.389 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 77.1 Cg_endo -77.12 146.89 25.86 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.339 2.026 . . . . 0.62 112.642 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 33.5 Cg_exo -59.84 152.52 63.27 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.806 2.337 . . . . 0.72 111.877 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.442 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 100.63 -13.39 59.53 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.851 -0.69 . . . . 0.35 111.88 -175.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 93.8 m95 -95.21 149.95 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.273 . . . . 0.48 110.764 173.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.79 157.88 41.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.361 -0.381 . . . . 1.84 110.048 168.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HG3' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -111.45 121.96 46.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 3.2 109.599 -173.378 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -125.98 158.5 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.056 0.455 . . . . 2.27 111.633 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 p -132.9 128.66 37.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 1.33 109.879 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -100.4 -59.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.786 0.327 . . . . 2.22 110.994 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -81.46 18.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.448 -0.342 . . . . 2.93 111.914 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 58.21 49.03 11.84 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.26 -0.427 . . . . 6.33 111.224 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.87 -51.72 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.538 -0.839 . . . . 1.65 112.102 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 47.4 mmtm -77.64 121.44 23.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.545 -0.539 . . . . 2.84 109.545 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.76 98.85 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 1.37 110.27 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -91.19 138.24 31.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.415 -0.587 . . . . 0.81 109.415 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.626 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 85.6 m-85 -100.35 118.82 37.4 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.751 -0.658 . . . . 0.47 110.158 -174.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -99.41 115.81 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.646 -0.707 . . . . 0.71 110.416 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -88.89 96.43 10.7 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.56 -0.904 . . . . 0.79 108.56 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.16 -28.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.852 0.358 . . . . 0.46 110.974 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 17.6 mtp180 -57.13 -42.26 80.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 3.29 110.986 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -119.1 9.13 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 1.33 110.702 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.3 50.85 18.11 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.952 -1.022 . . . . 1.84 111.792 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 m -125.02 146.64 49.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.225 -0.443 . . . . 0.65 110.813 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.4 132.29 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.957 0.408 . . . . 1.35 111.252 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -136.42 171.44 14.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.204 -0.453 . . . . 0.46 110.042 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 96.6 m95 -120.35 14.26 12.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.132 0.491 . . . . 0.6 110.503 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -103.52 148.96 25.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 2.85 109.593 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 82.7 mtm180 -80.17 131.64 62.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 3.14 110.521 -177.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 2.9 Cg_exo -72.99 102.38 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.778 2.318 . . . . 0.96 112.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.448 HG22 ' SD ' ' A' ' 1' ' ' MET . 77.5 p -89.05 -170.88 3.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 2.73 109.839 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.819 ' HB ' ' HG2' ' A' ' 2' ' ' PRO . 11.9 tt -79.77 70.54 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 122.314 1.054 . . . . 5.11 110.47 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.5 tp -163.32 136.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.957 -1.019 . . . . 4.05 109.578 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt -83.35 91.83 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.496 -0.557 . . . . 6.01 109.496 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.565 -0.731 . . . . 8.43 110.076 -176.565 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 ttp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.826 -0.435 . . . . 4.62 109.826 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -73.35 139.01 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.875 2.383 . . . . 2.07 112.398 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.498 HD13 HH11 ' A' ' 9' ' ' ARG . 0.9 OUTLIER -135.18 102.79 10.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 121.525 0.678 . . . . 1.86 110.0 174.678 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 6.0 Cg_exo -71.73 162.65 41.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.801 2.334 . . . . 0.62 111.528 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.2 Cg_endo -53.51 123.65 13.85 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.823 2.349 . . . . 0.72 111.943 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.58 -4.46 56.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.35 113.237 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 85.8 m95 -102.31 139.66 37.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.973 0.386 . . . . 0.48 110.882 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.26 131.09 38.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 1.84 109.791 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.498 HH11 HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -96.44 106.41 18.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.027 -0.731 . . . . 3.2 109.027 178.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -112.81 173.21 6.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.225 -0.443 . . . . 2.27 110.042 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.582 ' CG2' ' HA ' ' A' ' 14' ' ' GLU . 9.2 t -153.35 146.37 24.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.003 0.43 . . . . 1.33 110.664 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -95.23 -53.15 3.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.594 . . . . 2.22 111.479 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -81.12 -4.11 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.328 0.585 . . . . 2.93 110.754 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.582 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 38.2 mt-10 66.58 56.72 0.73 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.32 -0.855 . . . . 6.33 109.853 -173.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.74 -42.58 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.486 -1.234 . . . . 1.65 110.776 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -84.94 99.97 11.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.124 -0.695 . . . . 2.84 109.124 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.02 113.38 22.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 1.37 111.329 -177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -103.66 144.61 31.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.045 -0.724 . . . . 0.81 109.045 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -102.03 118.45 36.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.443 0.639 . . . . 0.47 110.782 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -105.94 119.28 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.967 -1.015 . . . . 0.71 110.452 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 25.9 t-20 -93.18 110.07 21.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.595 -0.729 . . . . 0.79 109.591 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -72.31 -25.41 23.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.455 0.645 . . . . 0.46 110.669 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.5 mtp180 -62.71 -55.13 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.285 -0.87 . . . . 3.29 111.829 -174.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -111.42 9.42 21.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.103 0.409 . . . . 1.33 112.103 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 tp 60.68 57.55 2.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.389 0.614 . . . . 1.84 110.036 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 22' ' ' ASN . 22.9 m -118.58 133.18 56.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.863 -0.608 . . . . 0.65 111.67 -173.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 p -109.22 123.13 48.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.198 -0.456 . . . . 1.35 110.589 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -140.45 149.43 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.46 111.077 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -102.47 52.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.6 110.043 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -147.72 124.64 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.258 -0.883 . . . . 2.85 109.652 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 10.9 ptt180 -65.76 131.25 94.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 3.14 110.718 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 19.5 Cg_exo -65.12 117.83 4.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 123.431 2.754 . . . . 0.96 113.194 -173.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -141.87 -176.06 4.64 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.772 -0.825 . . . . 2.73 108.772 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp 40.06 64.16 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 122.374 1.083 . . . . 5.11 111.454 -175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.507 HG21 ' HG3' ' A' ' 4' ' ' PRO . 32.5 pt -92.26 153.63 3.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.994 -1.003 . . . . 4.05 110.432 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.09 92.34 5.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.858 -0.61 . . . . 6.01 110.887 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-N 114.891 -1.049 . . . . 8.43 108.44 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.594 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 21.1 mmt . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 111.554 0.205 . . . . 4.62 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.594 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 17.1 Cg_exo -68.05 157.99 59.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.102 1.868 . . . . 2.07 111.341 175.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.446 ' HB3' ' HG2' ' A' ' 33' ' ' PRO . 1.5 pt? -135.59 120.65 13.55 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.992 0.425 . . . . 1.86 110.261 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.499 ' HD3' HD12 ' A' ' 36' ' ' ILE . 44.4 Cg_endo -73.77 148.76 41.8 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.308 2.005 . . . . 0.62 110.863 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.5 Cg_endo -53.04 140.93 58.81 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.078 2.519 . . . . 0.72 112.284 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.06 52.96 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.856 -0.687 . . . . 0.35 112.673 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -97.74 121.79 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.799 0.333 . . . . 0.48 110.248 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 7.3 tp10 -103.71 118.38 36.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.235 -0.439 . . . . 1.84 110.156 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -109.69 106.2 15.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.995 -0.548 . . . . 3.2 109.783 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -141.94 164.16 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 2.27 111.043 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 13.7 p -101.51 137.35 39.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 1.33 109.989 177.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' A' ' 13' ' ' VAL . 29.1 p-10 -96.03 -83.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.213 0.82 . . . . 2.22 113.213 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 44.9 t -79.35 -58.6 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.454 0.645 . . . . 2.93 110.643 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.13 79.75 0.6 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.185 -0.916 . . . . 6.33 110.893 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.67 -20.96 24.96 Favored Glycine 0 C--N 1.317 -0.475 0 CA-C-N 115.558 -0.747 . . . . 1.65 113.402 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -70.79 124.71 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.106 -0.702 . . . . 2.84 109.106 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -99.44 115.23 39.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.216 0.531 . . . . 1.37 111.299 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -96.9 151.3 19.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.79 -0.641 . . . . 0.81 109.58 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -114.6 117.81 31.94 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.22 0.533 . . . . 0.47 109.575 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 13.9 t80 -112.38 106.26 14.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.46 -0.791 . . . . 0.71 110.832 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.62 95.61 4.62 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.178 -1.045 . . . . 0.79 108.178 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.09 -32.62 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 0.46 110.812 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.4 mtp180 -63.67 -35.15 79.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 3.29 111.751 -173.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -114.1 2.06 14.8 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 1.33 111.59 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 tp 59.12 69.62 0.71 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.423 -0.808 . . . . 1.84 110.973 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.6 m -142.61 127.14 17.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.084 -0.385 . . . . 0.65 111.215 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -107.91 112.8 25.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 1.35 110.388 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -131.7 170.0 15.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.154 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -98.99 3.16 46.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.486 0.66 . . . . 0.6 109.427 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -84.08 127.3 33.81 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.075 -0.966 . . . . 2.85 110.373 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.02 155.28 44.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 3.14 110.313 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.446 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 71.0 Cg_exo -43.21 105.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.379 2.719 . . . . 0.96 113.206 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.4 147.34 37.94 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.106 -0.952 . . . . 2.73 110.002 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.1 mm 68.85 81.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.489 0.662 . . . . 5.11 109.308 -173.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.499 HD12 ' HD3' ' A' ' 4' ' ' PRO . 25.0 mm -80.79 122.5 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 4.05 109.937 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.54 140.67 53.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 6.01 111.191 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.718 -0.658 . . . . 8.43 109.603 178.085 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.602 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 48.5 ttm . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 119.502 -0.285 . . . . 4.62 111.66 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 15.3 Cg_exo -69.7 157.42 60.56 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.163 1.909 . . . . 2.07 112.76 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.899 ' HG ' ' HG2' ' A' ' 33' ' ' PRO . 7.8 mp -119.73 120.32 30.64 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.916 -0.772 . . . . 1.86 108.916 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 19.6 Cg_endo -79.9 142.44 15.71 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 C-N-CA 121.763 1.642 . . . . 0.62 110.668 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -41.9 132.25 4.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.456 2.77 . . . . 0.72 112.453 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.76 -12.26 56.36 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.672 -0.695 . . . . 0.35 112.27 -173.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 85.4 m95 -99.47 120.94 40.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.977 0.417 . . . . 0.48 110.72 173.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.47 121.83 37.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.73 -0.668 . . . . 1.84 110.749 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.668 ' HG3' HD21 ' A' ' 3' ' ' LEU . 84.4 mtm180 -83.2 106.15 14.76 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.565 -0.902 . . . . 3.2 108.565 172.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -109.45 134.26 52.08 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 2.27 111.25 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.81 HG22 HG22 ' A' ' 18' ' ' VAL . 30.5 p -107.73 117.32 33.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.169 -0.923 . . . . 1.33 109.122 176.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.519 ' HB2' ' HE1' ' A' ' 19' ' ' TYR . 18.6 t70 -100.09 -79.1 0.5 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.513 -0.475 . . . . 2.22 110.897 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.954 ' HB ' ' HD3' ' A' ' 17' ' ' LYS . 5.6 t -81.11 50.69 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 121.247 0.546 . . . . 2.93 111.304 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 47.23 60.01 3.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.038 -0.983 . . . . 6.33 112.712 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.41 -38.16 0.89 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.349 -0.929 . . . . 1.65 112.395 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.954 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 3.3 mptp? -74.41 101.48 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.669 -0.493 . . . . 2.84 109.669 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.81 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -97.32 98.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 1.37 109.978 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.519 ' HE1' ' HB2' ' A' ' 12' ' ' ASP . 42.7 p90 -98.21 141.94 30.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.637 -0.505 . . . . 0.81 109.637 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.636 ' CD2' ' HG2' ' A' ' 9' ' ' ARG . 44.9 m-85 -98.22 117.59 32.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.382 -0.599 . . . . 0.47 109.382 -177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CD1' HG23 ' A' ' 28' ' ' THR . 49.1 t80 -115.04 119.65 37.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.62 -0.718 . . . . 0.71 111.291 -173.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 46.5 t-20 -89.46 109.55 20.47 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.183 -1.043 . . . . 0.79 108.183 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.74 -18.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.531 . . . . 0.46 111.115 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.59 -40.8 22.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.207 -0.451 . . . . 3.29 111.486 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.4 p -102.48 -7.8 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 1.33 111.556 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.33 42.27 7.03 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 1.84 110.713 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -105.74 125.4 50.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 0.65 111.103 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -108.4 110.77 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 1.35 110.145 174.317 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -129.49 159.43 36.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.539 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -92.0 -3.44 55.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 0.6 109.3 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.39 123.65 28.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.263 -0.88 . . . . 2.85 109.486 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.63 143.01 98.48 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 3.14 109.822 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.899 ' HG2' ' HG ' ' A' ' 3' ' ' LEU . 8.3 Cg_exo -30.22 103.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 124.96 3.773 . . . . 0.96 114.19 -175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 p -79.03 103.68 9.14 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.879 -1.055 . . . . 2.73 111.221 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.59 112.16 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 5.11 110.387 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.6 mt 69.07 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 123.898 0.749 . . . . 4.05 111.289 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.9 mt -81.24 126.8 31.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 6.01 110.738 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.191 -0.909 . . . . 8.43 109.598 176.125 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 31.0 Cg_endo . . . . . 0 N--CA 1.457 -0.634 0 N-CA-C 111.325 -0.298 . . . . 0.62 111.325 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 86.9 Cg_exo -48.58 129.13 19.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.164 2.576 . . . . 0.72 112.796 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.487 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.16 17.34 22.81 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.572 -0.74 . . . . 0.35 111.845 -173.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 47.8 m95 -123.93 134.24 53.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.48 110.787 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -135.77 147.63 48.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.481 . . . . 1.84 109.78 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.623 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -117.66 125.06 50.04 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.585 -0.524 . . . . 3.2 109.585 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -122.9 140.98 52.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.942 -0.572 . . . . 2.27 110.843 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 121.004 0.43 . . . . 1.33 110.689 178.197 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 110.042 -0.355 . . . . 2.84 110.042 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -114.92 115.06 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.136 0.493 . . . . 1.37 110.626 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -105.2 148.26 27.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.108 0.48 . . . . 0.81 109.926 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.436 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 77.9 m-85 -106.02 126.44 52.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.422 0.629 . . . . 0.47 110.527 -173.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.425 ' HD1' ' HG1' ' A' ' 28' ' ' THR . 50.3 t80 -112.75 113.83 26.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.464 -0.789 . . . . 0.71 110.522 -175.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -78.58 100.43 6.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.981 -1.118 . . . . 0.79 107.981 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 18.4 t -66.65 -24.02 32.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.46 111.086 -174.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HG3' ' HA3' ' A' ' 6' ' ' GLY . 32.2 mtm180 -69.57 -42.47 74.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 3.29 111.025 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 p -108.69 3.43 22.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.481 -0.327 . . . . 1.33 111.454 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt 59.81 40.5 19.36 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.702 -0.681 . . . . 1.84 111.317 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -100.51 130.78 46.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.096 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.425 ' HG1' ' HD1' ' A' ' 21' ' ' PHE . 7.5 m -107.62 109.81 21.53 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.671 -0.492 . . . . 1.35 109.671 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 t -136.17 156.04 49.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.126 0.488 . . . . 0.46 111.26 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.95 45.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.572 0.701 . . . . 0.6 109.475 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -127.08 117.08 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.978 -1.01 . . . . 2.85 109.748 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 97.4 mtt180 -54.94 132.99 67.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 3.14 110.905 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD3' ' CD2' ' A' ' 20' ' ' TYR . 50.5 Cg_exo . . . . . 0 C--N 1.346 0.425 0 C-N-CA 122.782 2.321 . . . . 0.96 111.729 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 1.4 Cg_endo . . . . . 0 N--CA 1.46 -0.461 0 N-CA-C 111.678 -0.162 . . . . 0.62 111.678 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 81.9 Cg_exo -45.17 127.26 8.72 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.21 2.607 . . . . 0.72 112.477 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.24 -6.96 56.36 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.779 -0.646 . . . . 0.35 113.07 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 66.4 m95 -94.09 163.71 13.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.268 0.534 . . . . 0.48 111.081 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 7.5 tp10 -151.9 148.05 27.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 1.84 110.345 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 20' ' ' TYR . 15.4 ttm-85 -127.08 106.77 9.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 3.2 109.938 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 94.0 mtt180 -134.96 167.46 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.423 -0.214 . . . . 2.27 110.423 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 1.33 111.766 -178.38 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.428 -0.212 . . . . 2.84 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.17 111.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.085 0.469 . . . . 1.37 110.399 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -105.98 164.56 11.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 0.81 110.041 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 9' ' ' ARG . 63.7 m-85 -118.49 118.68 32.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.226 0.536 . . . . 0.47 109.989 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -109.47 115.44 29.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.553 -0.749 . . . . 0.71 110.582 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -87.33 105.38 17.21 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.69 -0.855 . . . . 0.79 108.69 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.84 -22.19 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.546 . . . . 0.46 110.948 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 23.0 mtp180 -73.78 -30.68 62.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 3.29 111.187 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.6 p -118.98 -4.6 10.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 1.33 111.624 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.83 26.98 16.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.595 -0.73 . . . . 1.84 111.021 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 m -94.28 133.23 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.65 111.188 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -107.56 110.51 22.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.967 -0.56 . . . . 1.35 109.557 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -130.07 161.78 30.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.192 -0.458 . . . . 0.46 110.581 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.01 7.77 44.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.28 0.562 . . . . 0.6 109.97 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -78.45 118.09 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 2.85 110.084 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 32' ' ' ARG . 15.4 ttm180 -72.03 118.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.745 -0.465 . . . . 3.14 109.745 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo . . . . . 0 C--N 1.345 0.388 0 C-N-CA 122.974 2.45 . . . . 0.96 112.652 -177.014 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.492 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 82.8 Cg_exo . . . . . 0 N--CA 1.462 -0.342 0 N-CA-C 111.638 -0.178 . . . . 0.62 111.638 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.5 118.95 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.779 2.32 . . . . 0.72 112.025 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.28 17.72 19.17 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.829 -0.701 . . . . 0.35 112.676 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.492 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 53.3 m95 -112.55 150.34 31.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.785 -0.45 . . . . 0.48 109.785 169.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' A' ' 10' ' ' ARG . 20.2 tt0 -157.93 140.95 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.591 -0.277 . . . . 1.84 110.321 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -94.62 120.63 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.291 -0.633 . . . . 3.2 109.291 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' A' ' 8' ' ' GLU . 99.5 mtt180 -126.69 137.86 53.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.875 0.369 . . . . 2.27 110.927 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 37.0 p . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 1.33 110.674 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 mttp . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 120.79 0.329 . . . . 2.84 110.427 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.81 100.09 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.72 0.771 . . . . 1.37 110.516 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -95.06 153.25 17.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 0.81 109.414 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -103.01 118.02 35.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.756 -0.461 . . . . 0.47 109.756 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HD2' HG22 ' A' ' 23' ' ' VAL . 59.1 t80 -100.11 116.98 33.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.869 -0.605 . . . . 0.71 110.516 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' ND2' HH21 ' A' ' 24' ' ' ARG . 56.8 t-20 -80.99 90.58 5.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.112 -0.949 . . . . 0.79 108.601 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG22 ' HD2' ' A' ' 21' ' ' PHE . 20.8 t -64.52 -29.6 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.144 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.498 HH21 ' ND2' ' A' ' 22' ' ' ASN . 72.4 mtm180 -58.84 -54.93 41.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.571 -0.741 . . . . 3.29 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -98.02 0.57 46.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 1.33 111.702 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp 60.37 58.52 2.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.984 -0.553 . . . . 1.84 110.81 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 m -145.16 138.79 26.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.621 -0.263 . . . . 0.65 110.963 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 4.6 t -106.89 127.15 53.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.547 . . . . 1.35 109.805 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -140.67 163.51 32.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.46 110.639 -172.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.0 m95 -101.01 11.83 38.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.6 110.273 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.76 134.46 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 2.85 109.918 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 81.3 mtt180 -67.55 137.65 93.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 3.14 110.398 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.236 0.394 0 C-N-CA 122.747 2.298 . . . . 0.96 112.017 174.549 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 50.4 Cg_exo . . . . . 0 C--O 1.236 0.419 0 CA-C-O 120.67 0.196 . . . . 0.62 111.934 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.7 129.68 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.666 2.244 . . . . 0.72 111.189 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.2 -0.23 54.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.908 -0.663 . . . . 0.35 112.684 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 44.3 m95 -95.83 120.94 36.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.414 0.607 . . . . 0.48 110.297 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -125.87 135.67 52.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.315 -0.402 . . . . 1.84 110.055 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -97.14 111.29 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.877 -0.416 . . . . 3.2 109.877 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -121.59 142.16 50.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.291 -0.413 . . . . 2.27 109.943 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 2.6 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-O 121.395 0.617 . . . . 1.33 111.527 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.63 ' HB3' ' HH2' ' A' ' 30' ' ' TRP . 8.6 mtmp? . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 2.84 109.588 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 2.7 p -82.97 107.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.624 0.726 . . . . 1.37 110.778 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -103.71 173.31 6.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.989 -1.005 . . . . 0.81 109.515 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -115.14 117.86 31.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.375 0.607 . . . . 0.47 110.016 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -103.06 113.54 27.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.375 -0.829 . . . . 0.71 109.936 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -83.36 93.7 7.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.538 -0.756 . . . . 0.79 109.142 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.89 -28.21 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.441 -0.8 . . . . 0.46 110.82 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 24' ' ' ARG . 31.2 mtm180 -57.74 -40.13 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.475 -0.784 . . . . 3.29 111.337 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -118.89 4.36 11.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.601 0.239 . . . . 1.33 111.623 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt 55.31 61.88 2.71 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.798 -0.637 . . . . 1.84 110.588 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 m -130.49 139.04 50.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.092 -0.504 . . . . 0.65 111.178 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -107.43 122.09 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 1.35 110.215 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -148.51 158.64 44.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.94 0.4 . . . . 0.46 111.008 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.63 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.6 m95 -96.89 41.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.34 0.59 . . . . 0.6 110.425 177.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.69 120.1 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.595 -0.73 . . . . 2.85 109.793 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HG3' ' HD2' ' A' ' 33' ' ' PRO . 36.1 ttp180 -62.52 135.26 95.42 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 3.14 110.46 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.437 ' HD2' ' HG3' ' A' ' 32' ' ' ARG . 86.1 Cg_exo . . . . . 0 N--CA 1.462 -0.349 0 C-N-CA 123.428 2.752 . . . . 0.96 113.396 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 7.6 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.239 -0.331 . . . . 0.62 111.239 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 46.8 Cg_exo -56.63 138.88 86.58 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.605 2.203 . . . . 0.72 111.401 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.08 -1.77 51.23 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.705 -0.76 . . . . 0.35 112.092 -173.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.29 135.28 44.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.685 0.278 . . . . 0.48 110.273 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 3.9 tp10 -115.76 133.24 56.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.532 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 20' ' ' TYR . 71.3 mtm180 -110.66 106.62 15.92 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.795 -0.446 . . . . 3.2 109.795 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 99.5 mtt180 -127.11 160.77 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.283 -0.266 . . . . 2.27 110.283 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 120.918 0.389 . . . . 1.33 111.125 -176.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.458 -0.201 . . . . 2.84 110.458 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.4 110.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.438 0.637 . . . . 1.37 110.9 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -98.16 151.94 19.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.666 . . . . 0.81 109.601 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' HG2' ' A' ' 9' ' ' ARG . 87.2 m-85 -112.63 119.1 36.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.298 0.57 . . . . 0.47 110.458 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 75.3 t80 -110.22 122.04 46.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.376 -0.829 . . . . 0.71 110.54 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HB3' ' H ' ' A' ' 27' ' ' THR . 56.0 t-20 -79.02 107.21 11.62 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.769 -0.826 . . . . 0.79 108.769 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.37 -19.05 18.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.196 0.522 . . . . 0.46 110.778 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -80.53 -56.1 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.764 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.93 -7.4 43.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.559 . . . . 1.33 111.652 -175.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp 64.34 36.3 9.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.8 -0.636 . . . . 1.84 111.199 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.456 ' H ' ' HB3' ' A' ' 22' ' ' ASN . 18.7 m -98.88 124.96 44.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.233 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.504 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 7.6 t -108.35 125.27 51.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.088 0.47 . . . . 1.35 109.909 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -146.38 168.02 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.46 111.03 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -103.04 8.11 38.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.733 -0.667 . . . . 0.6 110.086 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.85 116.04 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.85 109.914 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 32' ' ' ARG . 29.7 ttp180 -68.2 129.76 92.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.141 -0.481 . . . . 3.14 109.987 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.94 2.427 . . . . 0.96 112.661 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HG2' ' HD1' ' A' ' 7' ' ' TRP . 27.5 Cg_endo . . . . . 0 N--CA 1.458 -0.609 0 CA-C-O 120.617 0.174 . . . . 0.62 111.865 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -46.98 135.92 17.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.89 3.06 . . . . 0.72 112.695 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.69 -4.18 53.51 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.679 -0.691 . . . . 0.35 112.212 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 46.5 m95 -98.24 138.37 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.94 0.4 . . . . 0.48 110.386 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -142.25 129.44 20.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.615 . . . . 1.84 110.942 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 9' ' ' ARG . 32.0 ttm180 -93.11 118.74 31.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 3.2 110.092 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -120.32 152.07 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 2.27 110.7 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 18' ' ' VAL . 2.2 p . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 116.136 -0.484 . . . . 1.33 110.499 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.158 -1.053 . . . . 2.84 108.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -79.54 97.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.253 -0.43 . . . . 1.37 110.456 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -102.88 145.01 30.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.117 0.484 . . . . 0.81 109.829 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -109.25 124.12 50.37 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.775 -0.648 . . . . 0.47 110.011 -174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HZ ' HD12 ' A' ' 26' ' ' LEU . 75.7 t80 -102.0 112.06 24.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.774 -0.648 . . . . 0.71 110.501 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 40.1 t30 -89.28 96.6 10.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.706 -0.679 . . . . 0.79 109.368 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.71 -31.01 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.069 -0.969 . . . . 0.46 110.953 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -54.7 -53.63 52.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 3.29 111.354 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -102.33 7.8 40.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 1.33 111.385 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 23.5 tp 56.46 47.84 18.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.448 -0.796 . . . . 1.84 110.02 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 m -121.76 138.52 54.33 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -107.4 126.45 52.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.219 -0.66 . . . . 1.35 109.219 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -147.75 162.92 38.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.801 0.334 . . . . 0.46 110.786 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -94.68 32.56 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.371 0.605 . . . . 0.6 109.681 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -104.53 116.68 32.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.325 -0.852 . . . . 2.85 110.729 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 26.7 ptt180 -69.26 131.93 90.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 3.14 109.871 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 41.3 Cg_exo . . . . . 0 C--N 1.346 0.441 0 C-N-CA 123.016 2.478 . . . . 0.96 112.863 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 77.1 Cg_endo . . . . . 0 N--CA 1.457 -0.619 0 CA-C-O 120.974 0.322 . . . . 0.62 112.642 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 33.5 Cg_exo -59.84 152.52 63.27 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.806 2.337 . . . . 0.72 111.877 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.442 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 100.63 -13.39 59.53 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.851 -0.69 . . . . 0.35 111.88 -175.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 93.8 m95 -95.21 149.95 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.273 . . . . 0.48 110.764 173.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.79 157.88 41.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.361 -0.381 . . . . 1.84 110.048 168.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HG3' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -111.45 121.96 46.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 3.2 109.599 -173.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -125.98 158.5 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.056 0.455 . . . . 2.27 111.633 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 1.33 109.879 177.03 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 47.4 mmtm . . . . . 0 CA--C 1.516 -0.333 0 N-CA-C 109.545 -0.539 . . . . 2.84 109.545 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.76 98.85 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 1.37 110.27 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -91.19 138.24 31.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.415 -0.587 . . . . 0.81 109.415 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.626 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 85.6 m-85 -100.35 118.82 37.4 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.751 -0.658 . . . . 0.47 110.158 -174.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -99.41 115.81 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.646 -0.707 . . . . 0.71 110.416 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -88.89 96.43 10.7 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.56 -0.904 . . . . 0.79 108.56 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.16 -28.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.852 0.358 . . . . 0.46 110.974 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 17.6 mtp180 -57.13 -42.26 80.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 3.29 110.986 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -119.1 9.13 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 1.33 110.702 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.3 50.85 18.11 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.952 -1.022 . . . . 1.84 111.792 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 m -125.02 146.64 49.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.225 -0.443 . . . . 0.65 110.813 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.4 132.29 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.957 0.408 . . . . 1.35 111.252 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -136.42 171.44 14.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.204 -0.453 . . . . 0.46 110.042 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 96.6 m95 -120.35 14.26 12.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.132 0.491 . . . . 0.6 110.503 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -103.52 148.96 25.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 2.85 109.593 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 82.7 mtm180 -80.17 131.64 62.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 3.14 110.521 -177.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 2.9 Cg_exo . . . . . 0 N--CA 1.459 -0.516 0 C-N-CA 122.778 2.318 . . . . 0.96 112.025 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 6.0 Cg_exo . . . . . 0 N--CA 1.455 -0.78 0 N-CA-C 111.528 -0.22 . . . . 0.62 111.528 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.428 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.2 Cg_endo -53.51 123.65 13.85 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.823 2.349 . . . . 0.72 111.943 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.58 -4.46 56.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.35 113.237 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 85.8 m95 -102.31 139.66 37.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.973 0.386 . . . . 0.48 110.882 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.26 131.09 38.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 1.84 109.791 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -96.44 106.41 18.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.027 -0.731 . . . . 3.2 109.027 178.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -112.81 173.21 6.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.225 -0.443 . . . . 2.27 110.042 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 121.003 0.43 . . . . 1.33 110.664 179.533 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 109.124 -0.695 . . . . 2.84 109.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.02 113.38 22.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 1.37 111.329 -177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -103.66 144.61 31.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.045 -0.724 . . . . 0.81 109.045 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -102.03 118.45 36.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.443 0.639 . . . . 0.47 110.782 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -105.94 119.28 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.967 -1.015 . . . . 0.71 110.452 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 25.9 t-20 -93.18 110.07 21.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.595 -0.729 . . . . 0.79 109.591 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -72.31 -25.41 23.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.455 0.645 . . . . 0.46 110.669 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.5 mtp180 -62.71 -55.13 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.285 -0.87 . . . . 3.29 111.829 -174.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -111.42 9.42 21.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.103 0.409 . . . . 1.33 112.103 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 tp 60.68 57.55 2.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.389 0.614 . . . . 1.84 110.036 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 22' ' ' ASN . 22.9 m -118.58 133.18 56.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.863 -0.608 . . . . 0.65 111.67 -173.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 p -109.22 123.13 48.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.198 -0.456 . . . . 1.35 110.589 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -140.45 149.43 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.46 111.077 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -102.47 52.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.6 110.043 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -147.72 124.64 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.258 -0.883 . . . . 2.85 109.652 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 10.9 ptt180 -65.76 131.25 94.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 3.14 110.718 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 19.5 Cg_exo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 123.431 2.754 . . . . 0.96 113.194 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 N--CA 1.455 -0.776 0 N-CA-C 110.863 -0.476 . . . . 0.62 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.5 Cg_endo -53.04 140.93 58.81 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.078 2.519 . . . . 0.72 112.284 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.06 52.96 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.856 -0.687 . . . . 0.35 112.673 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -97.74 121.79 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.799 0.333 . . . . 0.48 110.248 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 7.3 tp10 -103.71 118.38 36.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.235 -0.439 . . . . 1.84 110.156 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -109.69 106.2 15.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.995 -0.548 . . . . 3.2 109.783 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -141.94 164.16 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 2.27 111.043 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 13.7 p . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 1.33 109.989 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.106 -0.702 . . . . 2.84 109.106 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -99.44 115.23 39.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.216 0.531 . . . . 1.37 111.299 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -96.9 151.3 19.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.79 -0.641 . . . . 0.81 109.58 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -114.6 117.81 31.94 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.22 0.533 . . . . 0.47 109.575 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 13.9 t80 -112.38 106.26 14.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.46 -0.791 . . . . 0.71 110.832 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.62 95.61 4.62 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.178 -1.045 . . . . 0.79 108.178 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.09 -32.62 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 0.46 110.812 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.4 mtp180 -63.67 -35.15 79.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 3.29 111.751 -173.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -114.1 2.06 14.8 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 1.33 111.59 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 tp 59.12 69.62 0.71 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.423 -0.808 . . . . 1.84 110.973 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.6 m -142.61 127.14 17.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.084 -0.385 . . . . 0.65 111.215 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -107.91 112.8 25.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 1.35 110.388 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -131.7 170.0 15.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.154 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -98.99 3.16 46.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.486 0.66 . . . . 0.6 109.427 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -84.08 127.3 33.81 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.075 -0.966 . . . . 2.85 110.373 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.02 155.28 44.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 3.14 110.313 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--N 1.35 0.606 0 C-N-CA 123.379 2.719 . . . . 0.96 113.206 -179.884 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 19.6 Cg_endo . . . . . 0 N--CA 1.443 -1.448 0 N-CA-C 110.668 -0.551 . . . . 0.62 110.668 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -41.9 132.25 4.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.456 2.77 . . . . 0.72 112.453 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.76 -12.26 56.36 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.672 -0.695 . . . . 0.35 112.27 -173.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 85.4 m95 -99.47 120.94 40.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.977 0.417 . . . . 0.48 110.72 173.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.47 121.83 37.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.73 -0.668 . . . . 1.84 110.749 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' A' ' 20' ' ' TYR . 84.4 mtm180 -83.2 106.15 14.76 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.565 -0.902 . . . . 3.2 108.565 172.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -109.45 134.26 52.08 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 2.27 111.25 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.81 HG22 HG22 ' A' ' 18' ' ' VAL . 30.5 p . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.169 -0.923 . . . . 1.33 109.122 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 3.3 mptp? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.669 -0.493 . . . . 2.84 109.669 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.81 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -97.32 98.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 1.37 109.978 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -98.21 141.94 30.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.637 -0.505 . . . . 0.81 109.637 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.636 ' CD2' ' HG2' ' A' ' 9' ' ' ARG . 44.9 m-85 -98.22 117.59 32.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.382 -0.599 . . . . 0.47 109.382 -177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CD1' HG23 ' A' ' 28' ' ' THR . 49.1 t80 -115.04 119.65 37.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.62 -0.718 . . . . 0.71 111.291 -173.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 46.5 t-20 -89.46 109.55 20.47 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.183 -1.043 . . . . 0.79 108.183 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.74 -18.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.531 . . . . 0.46 111.115 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.59 -40.8 22.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.207 -0.451 . . . . 3.29 111.486 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.4 p -102.48 -7.8 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 1.33 111.556 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.33 42.27 7.03 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 1.84 110.713 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -105.74 125.4 50.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 0.65 111.103 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -108.4 110.77 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 1.35 110.145 174.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -129.49 159.43 36.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.539 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -92.0 -3.44 55.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 0.6 109.3 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.39 123.65 28.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.263 -0.88 . . . . 2.85 109.486 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.63 143.01 98.48 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 3.14 109.822 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 124.96 3.773 . . . . 0.96 114.19 -175.063 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 109.732 -0.469 . . . . 4.62 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.07 156.48 38.32 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.583 2.189 . . . . 2.07 112.522 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -109.29 102.99 51.4 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.12 -0.696 . . . . 1.86 109.12 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 31.0 Cg_endo -65.22 145.04 83.18 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.407 2.071 . . . . 0.62 111.325 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 86.9 Cg_exo -48.58 129.13 19.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.164 2.576 . . . . 0.72 112.796 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.16 17.34 22.81 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.572 -0.74 . . . . 0.35 111.845 -173.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 47.8 m95 -123.93 134.24 53.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.808 0.337 . . . . 0.48 110.787 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -135.77 147.63 48.45 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.481 . . . . 1.84 109.78 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.623 ' H ' ' HD3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -117.66 125.06 50.04 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.585 -0.524 . . . . 3.2 109.585 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -122.9 140.98 52.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.942 -0.572 . . . . 2.27 110.843 -174.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -98.6 135.29 40.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.004 0.43 . . . . 1.33 110.689 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -94.2 171.12 9.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.05 -0.523 . . . . 2.22 109.595 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.35 -28.5 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 120.801 0.334 . . . . 2.93 111.082 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.33 -9.8 36.62 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.381 -0.372 . . . . 6.33 111.632 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.91 8.48 72.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 1.65 111.55 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -89.77 150.47 22.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.435 -0.382 . . . . 2.84 110.042 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 p -114.92 115.06 48.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.136 0.493 . . . . 1.37 110.626 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -105.2 148.26 27.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.108 0.48 . . . . 0.81 109.926 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.436 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 77.9 m-85 -106.02 126.44 52.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.422 0.629 . . . . 0.47 110.527 -173.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.425 ' HD1' ' HG1' ' A' ' 28' ' ' THR . 50.3 t80 -112.75 113.83 26.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.464 -0.789 . . . . 0.71 110.522 -175.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -78.58 100.43 6.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.981 -1.118 . . . . 0.79 107.981 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 18.4 t -66.65 -24.02 32.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.46 111.086 -174.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HG3' ' HA3' ' A' ' 6' ' ' GLY . 32.2 mtm180 -69.57 -42.47 74.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.057 -0.52 . . . . 3.29 111.025 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 p -108.69 3.43 22.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.481 -0.327 . . . . 1.33 111.454 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt 59.81 40.5 19.36 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.702 -0.681 . . . . 1.84 111.317 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -100.51 130.78 46.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.096 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.425 ' HG1' ' HD1' ' A' ' 21' ' ' PHE . 7.5 m -107.62 109.81 21.53 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.671 -0.492 . . . . 1.35 109.671 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 t -136.17 156.04 49.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.126 0.488 . . . . 0.46 111.26 -173.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.95 45.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.572 0.701 . . . . 0.6 109.475 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -127.08 117.08 21.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.978 -1.01 . . . . 2.85 109.748 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 97.4 mtt180 -54.94 132.99 67.34 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 3.14 110.905 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' HD3' ' CD2' ' A' ' 20' ' ' TYR . 50.5 Cg_exo -54.36 112.52 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.782 2.321 . . . . 0.96 111.729 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 p -81.96 172.97 12.66 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.779 -0.646 . . . . 2.73 110.84 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 53.6 mt -67.93 86.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.923 -0.58 . . . . 5.11 110.017 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tp 74.0 132.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 114.688 -1.142 . . . . 4.05 110.744 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 tp -128.8 124.46 35.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.999 -0.546 . . . . 6.01 109.797 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.548 -0.739 . . . . 8.43 109.964 179.23 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 109.514 -0.551 . . . . 4.62 109.514 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.465 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 87.5 Cg_endo -77.43 146.13 24.33 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.914 2.409 . . . . 2.07 113.674 -169.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 82.8 mt -127.66 85.06 61.67 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 115.217 -0.901 . . . . 1.86 109.054 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 1.4 Cg_endo -51.35 145.11 28.76 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.807 2.338 . . . . 0.62 111.678 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 81.9 Cg_exo -45.17 127.26 8.72 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.21 2.607 . . . . 0.72 112.477 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 101.24 -6.96 56.36 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.779 -0.646 . . . . 0.35 113.07 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.59 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 66.4 m95 -94.09 163.71 13.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.268 0.534 . . . . 0.48 111.081 175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 7.5 tp10 -151.9 148.05 27.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 1.84 110.345 -177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' HG3' ' CE1' ' A' ' 20' ' ' TYR . 15.4 ttm-85 -127.08 106.77 9.49 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.938 -0.393 . . . . 3.2 109.938 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 94.0 mtt180 -134.96 167.46 20.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.423 -0.214 . . . . 2.27 110.423 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -103.59 132.06 50.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.127 0.489 . . . . 1.33 111.766 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.68 172.08 12.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.254 -0.884 . . . . 2.22 110.517 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.27 -36.77 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.746 0.308 . . . . 2.93 111.148 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.44 -4.65 31.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.925 0.393 . . . . 6.33 111.525 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.81 4.24 72.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.042 -0.599 . . . . 1.65 111.928 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.92 126.43 31.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.744 -0.228 . . . . 2.84 110.428 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 p -74.17 111.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.085 0.469 . . . . 1.37 110.399 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -105.98 164.56 11.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 0.81 110.041 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 9' ' ' ARG . 63.7 m-85 -118.49 118.68 32.38 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.226 0.536 . . . . 0.47 109.989 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -109.47 115.44 29.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.553 -0.749 . . . . 0.71 110.582 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -87.33 105.38 17.21 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.69 -0.855 . . . . 0.79 108.69 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 t -65.84 -22.19 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.546 . . . . 0.46 110.948 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 23.0 mtp180 -73.78 -30.68 62.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 3.29 111.187 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.6 p -118.98 -4.6 10.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 1.33 111.624 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.83 26.98 16.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.595 -0.73 . . . . 1.84 111.021 -176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 m -94.28 133.23 38.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.65 111.188 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -107.56 110.51 22.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.967 -0.56 . . . . 1.35 109.557 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -130.07 161.78 30.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.192 -0.458 . . . . 0.46 110.581 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.01 7.77 44.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.28 0.562 . . . . 0.6 109.97 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -78.45 118.09 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 2.85 110.084 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 32' ' ' ARG . 15.4 ttm180 -72.03 118.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.745 -0.465 . . . . 3.14 109.745 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.03 109.6 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.974 2.45 . . . . 0.96 112.652 -177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -115.99 -14.56 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 2.73 110.06 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.616 HG22 HG13 ' A' ' 36' ' ' ILE . 71.0 mt -77.22 136.98 23.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.542 -0.753 . . . . 5.11 109.882 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.616 HG13 HG22 ' A' ' 35' ' ' ILE . 70.2 mt 74.65 96.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 O-C-N 124.075 0.859 . . . . 4.05 109.407 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.05 157.04 20.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.25 -0.886 . . . . 6.01 111.538 -171.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 2' ' ' PRO . 8.4 pt-20 . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.249 -0.887 . . . . 8.43 109.147 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.748 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 60.5 mtt . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 111.533 0.197 . . . . 4.62 111.533 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.748 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 16.9 Cg_exo -68.65 148.04 71.22 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.046 1.83 . . . . 2.07 111.343 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.7 mt -134.98 91.63 19.55 Favored Pre-proline 0 N--CA 1.446 -0.674 0 N-CA-C 108.704 -0.85 . . . . 1.86 108.704 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.492 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 82.8 Cg_exo -47.99 140.11 19.2 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.866 2.377 . . . . 0.62 111.638 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.5 118.95 4.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.779 2.32 . . . . 0.72 112.025 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.28 17.72 19.17 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.829 -0.701 . . . . 0.35 112.676 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.492 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 53.3 m95 -112.55 150.34 31.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.785 -0.45 . . . . 0.48 109.785 169.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' A' ' 10' ' ' ARG . 20.2 tt0 -157.93 140.95 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.591 -0.277 . . . . 1.84 110.321 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -94.62 120.63 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.291 -0.633 . . . . 3.2 109.291 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' A' ' 8' ' ' GLU . 99.5 mtt180 -126.69 137.86 53.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.875 0.369 . . . . 2.27 110.927 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 37.0 p -108.42 127.9 54.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 1.33 110.674 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.539 ' OD1' ' HB2' ' A' ' 17' ' ' LYS . 4.1 p-10 -84.79 -168.47 2.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 2.22 110.881 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.5 t -60.78 -35.13 62.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.717 0.294 . . . . 2.93 111.765 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -71.36 -21.93 61.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.953 0.406 . . . . 6.33 110.807 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.6 1.78 53.06 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.797 -0.716 . . . . 1.65 112.104 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 mttp -71.75 130.54 41.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.79 0.329 . . . . 2.84 110.427 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 p -92.81 100.09 10.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.72 0.771 . . . . 1.37 110.516 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -95.06 153.25 17.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.615 -0.721 . . . . 0.81 109.414 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -103.01 118.02 35.89 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.756 -0.461 . . . . 0.47 109.756 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HD2' HG22 ' A' ' 23' ' ' VAL . 59.1 t80 -100.11 116.98 33.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.869 -0.605 . . . . 0.71 110.516 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' ND2' HH21 ' A' ' 24' ' ' ARG . 56.8 t-20 -80.99 90.58 5.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.112 -0.949 . . . . 0.79 108.601 174.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG22 ' HD2' ' A' ' 21' ' ' PHE . 20.8 t -64.52 -29.6 47.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.144 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.498 HH21 ' ND2' ' A' ' 22' ' ' ASN . 72.4 mtm180 -58.84 -54.93 41.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.571 -0.741 . . . . 3.29 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -98.02 0.57 46.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.785 -0.643 . . . . 1.33 111.702 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp 60.37 58.52 2.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.984 -0.553 . . . . 1.84 110.81 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 m -145.16 138.79 26.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.621 -0.263 . . . . 0.65 110.963 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.499 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 4.6 t -106.89 127.15 53.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.547 . . . . 1.35 109.805 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.0 t -140.67 163.51 32.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.46 110.639 -172.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.0 m95 -101.01 11.83 38.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.062 -0.517 . . . . 0.6 110.273 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.76 134.46 33.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 2.85 109.918 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 81.3 mtt180 -67.55 137.65 93.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.007 -0.542 . . . . 3.14 110.398 179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.34 103.81 0.12 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.747 2.298 . . . . 0.96 112.017 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 p -97.8 116.17 29.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.707 -0.679 . . . . 2.73 110.776 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.653 HG12 HG13 ' A' ' 36' ' ' ILE . 14.7 tt -81.2 137.71 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.752 -0.462 . . . . 5.11 109.752 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.653 HG13 HG12 ' A' ' 35' ' ' ILE . 64.6 mt 65.55 90.48 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.375 0.607 . . . . 4.05 110.056 -176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.94 100.97 6.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.912 -0.585 . . . . 6.01 110.876 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.434 -0.803 . . . . 8.43 110.053 177.496 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.466 0.355 0 CA-C-O 120.841 0.353 . . . . 4.62 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.527 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 44.0 Cg_endo -69.46 129.47 17.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.395 2.064 . . . . 2.07 111.889 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 33' ' ' PRO . 96.3 mt -135.32 78.8 50.78 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.568 -0.53 . . . . 1.86 109.568 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HB2' ' HD1' ' A' ' 7' ' ' TRP . 50.4 Cg_exo -56.13 144.53 79.98 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.014 2.476 . . . . 0.62 111.934 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.7 129.68 36.36 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.666 2.244 . . . . 0.72 111.189 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.2 -0.23 54.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.908 -0.663 . . . . 0.35 112.684 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 4' ' ' PRO . 44.3 m95 -95.83 120.94 36.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.414 0.607 . . . . 0.48 110.297 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -125.87 135.67 52.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.315 -0.402 . . . . 1.84 110.055 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -97.14 111.29 23.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.877 -0.416 . . . . 3.2 109.877 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -121.59 142.16 50.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.291 -0.413 . . . . 2.27 109.943 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 2.6 t -122.88 148.17 45.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.395 0.617 . . . . 1.33 111.527 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -74.91 173.14 11.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.064 -0.971 . . . . 2.22 110.197 174.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.6 -47.92 89.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.914 0.387 . . . . 2.93 111.099 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.72 -27.2 69.1 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.841 -0.618 . . . . 6.33 111.487 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.12 21.3 3.48 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.214 -0.993 . . . . 1.65 112.8 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.63 ' HB3' ' HH2' ' A' ' 30' ' ' TRP . 8.6 mtmp? -82.24 91.79 6.81 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.588 -0.523 . . . . 2.84 109.588 174.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 2.7 p -82.97 107.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.624 0.726 . . . . 1.37 110.778 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -103.71 173.31 6.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.989 -1.005 . . . . 0.81 109.515 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -115.14 117.86 31.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.375 0.607 . . . . 0.47 110.016 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -103.06 113.54 27.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.375 -0.829 . . . . 0.71 109.936 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -83.36 93.7 7.8 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.538 -0.756 . . . . 0.79 109.142 177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.89 -28.21 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.441 -0.8 . . . . 0.46 110.82 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 24' ' ' ARG . 31.2 mtm180 -57.74 -40.13 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.475 -0.784 . . . . 3.29 111.337 -177.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.6 p -118.89 4.36 11.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.601 0.239 . . . . 1.33 111.623 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.4 mt 55.31 61.88 2.71 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.798 -0.637 . . . . 1.84 110.588 -175.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 m -130.49 139.04 50.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.092 -0.504 . . . . 0.65 111.178 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -107.43 122.09 45.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 1.35 110.215 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t -148.51 158.64 44.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.94 0.4 . . . . 0.46 111.008 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.63 ' HH2' ' HB3' ' A' ' 17' ' ' LYS . 99.6 m95 -96.89 41.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.34 0.59 . . . . 0.6 110.425 177.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.69 120.1 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.595 -0.73 . . . . 2.85 109.793 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HG3' ' HD2' ' A' ' 33' ' ' PRO . 36.1 ttp180 -62.52 135.26 95.42 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 3.14 110.46 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HB2' HD23 ' A' ' 3' ' ' LEU . 86.1 Cg_exo -43.98 127.23 6.6 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 123.428 2.752 . . . . 0.96 113.396 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.527 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 6.1 t -130.87 148.36 52.63 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.932 -1.031 . . . . 2.73 108.268 175.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.3 tp -77.59 97.3 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.677 0.751 . . . . 5.11 110.439 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -61.51 138.55 21.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.922 -1.035 . . . . 4.05 110.161 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.73 92.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.244 0.545 . . . . 6.01 109.763 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 115.33 -0.85 . . . . 8.43 109.538 -176.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 C--O 1.234 0.289 0 N-CA-C 110.022 -0.362 . . . . 4.62 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.92 128.25 18.43 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.608 2.205 . . . . 2.07 112.121 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.6 mt -135.22 105.0 10.27 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.098 -0.501 . . . . 1.86 110.523 -178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 7.6 Cg_endo -82.27 140.45 10.98 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.835 2.357 . . . . 0.62 111.239 176.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 46.8 Cg_exo -56.63 138.88 86.58 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.605 2.203 . . . . 0.72 111.401 177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.08 -1.77 51.23 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.705 -0.76 . . . . 0.35 112.092 -173.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.29 135.28 44.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.685 0.278 . . . . 0.48 110.273 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' ' 10' ' ' ARG . 3.9 tp10 -115.76 133.24 56.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.532 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 20' ' ' TYR . 71.3 mtm180 -110.66 106.62 15.92 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.795 -0.446 . . . . 3.2 109.795 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 99.5 mtt180 -127.11 160.77 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.283 -0.266 . . . . 2.27 110.283 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -114.29 132.42 56.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.918 0.389 . . . . 1.33 111.125 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.48 172.56 12.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.239 -0.652 . . . . 2.22 109.239 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.4 t -59.82 -27.55 38.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.948 0.404 . . . . 2.93 110.963 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.04 -10.05 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 6.33 111.902 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 16.96 66.22 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.976 -0.849 . . . . 1.65 110.976 -175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -101.73 131.75 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.552 -0.324 . . . . 2.84 110.458 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 p -87.4 110.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.438 0.637 . . . . 1.37 110.9 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -98.16 151.94 19.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.736 -0.666 . . . . 0.81 109.601 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' CD1' ' HG2' ' A' ' 9' ' ' ARG . 87.2 m-85 -112.63 119.1 36.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.298 0.57 . . . . 0.47 110.458 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' HD1' ' HB ' ' A' ' 28' ' ' THR . 75.3 t80 -110.22 122.04 46.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.376 -0.829 . . . . 0.71 110.54 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HB3' ' H ' ' A' ' 27' ' ' THR . 56.0 t-20 -79.02 107.21 11.62 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.769 -0.826 . . . . 0.79 108.769 175.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.37 -19.05 18.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.196 0.522 . . . . 0.46 110.778 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -80.53 -56.1 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.015 -0.539 . . . . 3.29 110.764 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.93 -7.4 43.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.559 . . . . 1.33 111.652 -175.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp 64.34 36.3 9.21 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.8 -0.636 . . . . 1.84 111.199 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.456 ' H ' ' HB3' ' A' ' 22' ' ' ASN . 18.7 m -98.88 124.96 44.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.233 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.504 ' HB ' ' HD1' ' A' ' 21' ' ' PHE . 7.6 t -108.35 125.27 51.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.088 0.47 . . . . 1.35 109.909 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -146.38 168.02 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.46 111.03 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -103.04 8.11 38.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.733 -0.667 . . . . 0.6 110.086 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -83.85 116.04 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.85 109.914 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 32' ' ' ARG . 29.7 ttp180 -68.2 129.76 92.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.141 -0.481 . . . . 3.14 109.987 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.14 124.57 14.25 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.94 2.427 . . . . 0.96 112.661 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -161.2 -35.95 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.278 -0.873 . . . . 2.73 109.735 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 35' ' ' ILE . 18.9 pt -87.3 95.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.405 -0.816 . . . . 5.11 110.011 172.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 tt -79.5 128.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.072 -0.513 . . . . 4.05 110.229 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.83 107.25 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 6.01 110.014 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.296 -0.859 . . . . 8.43 110.143 -178.064 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.817 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 24.7 ttt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 119.811 -0.138 . . . . 4.62 110.756 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.817 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 2.9 Cg_exo -77.05 129.89 10.86 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.783 1.655 . . . . 2.07 110.762 173.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.62 117.67 22.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.102 -0.703 . . . . 1.86 109.102 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HG2' ' HD1' ' A' ' 7' ' ' TRP . 27.5 Cg_endo -64.14 142.58 81.04 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.821 2.347 . . . . 0.62 111.865 -173.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -46.98 135.92 17.74 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.89 3.06 . . . . 0.72 112.695 -176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.69 -4.18 53.51 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.679 -0.691 . . . . 0.35 112.212 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 46.5 m95 -98.24 138.37 35.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.94 0.4 . . . . 0.48 110.386 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -142.25 129.44 20.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.848 -0.615 . . . . 1.84 110.942 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 9' ' ' ARG . 32.0 ttm180 -93.11 118.74 31.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.994 -0.548 . . . . 3.2 110.092 178.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -120.32 152.07 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.929 0.395 . . . . 2.27 110.7 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 18' ' ' VAL . 2.2 p -116.32 118.4 32.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.136 -0.484 . . . . 1.33 110.499 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.762 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 2.9 t70 -81.63 -143.46 0.05 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.959 -0.564 . . . . 2.22 109.833 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.9 m -58.24 90.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 112.967 0.729 . . . . 2.93 112.967 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 76.95 -29.29 0.17 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 114.455 -1.248 . . . . 6.33 113.946 165.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.49 31.23 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 119.232 -1.461 . . . . 1.65 113.521 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 43.8 mmtm -101.52 88.55 3.46 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.158 -1.053 . . . . 2.84 108.158 173.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -79.54 97.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.253 -0.43 . . . . 1.37 110.456 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -102.88 145.01 30.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.117 0.484 . . . . 0.81 109.829 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -109.25 124.12 50.37 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.775 -0.648 . . . . 0.47 110.011 -174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HZ ' HD12 ' A' ' 26' ' ' LEU . 75.7 t80 -102.0 112.06 24.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.774 -0.648 . . . . 0.71 110.501 -177.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 40.1 t30 -89.28 96.6 10.78 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.706 -0.679 . . . . 0.79 109.368 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.71 -31.01 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.069 -0.969 . . . . 0.46 110.953 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -54.7 -53.63 52.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 3.29 111.354 -175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -102.33 7.8 40.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.862 0.363 . . . . 1.33 111.385 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 23.5 tp 56.46 47.84 18.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.448 -0.796 . . . . 1.84 110.02 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 m -121.76 138.52 54.33 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -107.4 126.45 52.5 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.219 -0.66 . . . . 1.35 109.219 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t -147.75 162.92 38.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.801 0.334 . . . . 0.46 110.786 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -94.68 32.56 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.371 0.605 . . . . 0.6 109.681 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -104.53 116.68 32.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.325 -0.852 . . . . 2.85 110.729 -174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 26.7 ptt180 -69.26 131.93 90.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 3.14 109.871 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 41.3 Cg_exo -59.19 99.23 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.016 2.478 . . . . 0.96 112.863 -178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -106.77 -1.0 23.05 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.067 -0.969 . . . . 2.73 109.115 175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.27 136.96 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.159 -1.382 . . . . 5.11 110.179 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.7 pt -129.76 147.97 33.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.972 -0.558 . . . . 4.05 109.601 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 37' ' ' LEU . 2.7 pt? -63.28 131.46 48.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 6.01 110.401 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.549 -0.739 . . . . 8.43 109.677 -178.585 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.448 ' SD ' HG22 ' A' ' 34' ' ' THR . 50.5 ttm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 4.62 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.819 ' HG2' ' HB ' ' A' ' 35' ' ' ILE . 38.5 Cg_endo -66.78 143.73 68.52 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.798 2.332 . . . . 2.07 113.028 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 pp -133.11 138.84 32.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.389 -0.967 . . . . 1.86 108.389 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 7' ' ' TRP . 77.1 Cg_endo -77.12 146.89 25.86 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.339 2.026 . . . . 0.62 112.642 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 33.5 Cg_exo -59.84 152.52 63.27 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.806 2.337 . . . . 0.72 111.877 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.442 ' HA3' ' HG3' ' A' ' 24' ' ' ARG . . . 100.63 -13.39 59.53 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.851 -0.69 . . . . 0.35 111.88 -175.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 4' ' ' PRO . 93.8 m95 -95.21 149.95 20.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.273 . . . . 0.48 110.764 173.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -152.79 157.88 41.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.361 -0.381 . . . . 1.84 110.048 168.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HG3' ' CD1' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -111.45 121.96 46.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 3.2 109.599 -173.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -125.98 158.5 35.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.056 0.455 . . . . 2.27 111.633 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.0 p -132.9 128.66 37.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 1.33 109.879 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -100.4 -59.71 1.66 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.786 0.327 . . . . 2.22 110.994 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -81.46 18.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.448 -0.342 . . . . 2.93 111.914 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 58.21 49.03 11.84 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.26 -0.427 . . . . 6.33 111.224 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.87 -51.72 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.538 -0.839 . . . . 1.65 112.102 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 47.4 mmtm -77.64 121.44 23.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.545 -0.539 . . . . 2.84 109.545 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.76 98.85 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.031 -0.531 . . . . 1.37 110.27 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -91.19 138.24 31.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.415 -0.587 . . . . 0.81 109.415 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.626 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 85.6 m-85 -100.35 118.82 37.4 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.751 -0.658 . . . . 0.47 110.158 -174.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -99.41 115.81 30.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.646 -0.707 . . . . 0.71 110.416 -174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -88.89 96.43 10.7 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.56 -0.904 . . . . 0.79 108.56 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -66.16 -28.64 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.852 0.358 . . . . 0.46 110.974 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 17.6 mtp180 -57.13 -42.26 80.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 3.29 110.986 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -119.1 9.13 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 1.33 110.702 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.3 50.85 18.11 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 114.952 -1.022 . . . . 1.84 111.792 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.2 m -125.02 146.64 49.33 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.225 -0.443 . . . . 0.65 110.813 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.4 132.29 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.957 0.408 . . . . 1.35 111.252 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.1 t -136.42 171.44 14.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.204 -0.453 . . . . 0.46 110.042 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 96.6 m95 -120.35 14.26 12.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.132 0.491 . . . . 0.6 110.503 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -103.52 148.96 25.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 2.85 109.593 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 82.7 mtm180 -80.17 131.64 62.06 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 3.14 110.521 -177.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 2.9 Cg_exo -72.99 102.38 1.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.778 2.318 . . . . 0.96 112.025 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.448 HG22 ' SD ' ' A' ' 1' ' ' MET . 77.5 p -89.05 -170.88 3.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 2.73 109.839 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.819 ' HB ' ' HG2' ' A' ' 2' ' ' PRO . 11.9 tt -79.77 70.54 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 122.314 1.054 . . . . 5.11 110.47 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.5 tp -163.32 136.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.957 -1.019 . . . . 4.05 109.578 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.7 mt -83.35 91.83 7.41 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.496 -0.557 . . . . 6.01 109.496 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.565 -0.731 . . . . 8.43 110.076 -176.565 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.5 ttp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.826 -0.435 . . . . 4.62 109.826 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -73.35 139.01 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.875 2.383 . . . . 2.07 112.398 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.498 HD13 HH11 ' A' ' 9' ' ' ARG . 0.9 OUTLIER -135.18 102.79 10.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-O 121.525 0.678 . . . . 1.86 110.0 174.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 6.0 Cg_exo -71.73 162.65 41.4 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.801 2.334 . . . . 0.62 111.528 176.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.2 Cg_endo -53.51 123.65 13.85 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.823 2.349 . . . . 0.72 111.943 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.58 -4.46 56.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.35 113.237 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 85.8 m95 -102.31 139.66 37.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.973 0.386 . . . . 0.48 110.882 175.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.26 131.09 38.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.99 -0.55 . . . . 1.84 109.791 174.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.498 HH11 HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -96.44 106.41 18.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.027 -0.731 . . . . 3.2 109.027 178.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -112.81 173.21 6.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.225 -0.443 . . . . 2.27 110.042 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.582 ' CG2' ' HA ' ' A' ' 14' ' ' GLU . 9.2 t -153.35 146.37 24.55 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.003 0.43 . . . . 1.33 110.664 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -95.23 -53.15 3.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.594 . . . . 2.22 111.479 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 t -81.12 -4.11 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.328 0.585 . . . . 2.93 110.754 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.582 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 38.2 mt-10 66.58 56.72 0.73 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.32 -0.855 . . . . 6.33 109.853 -173.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.74 -42.58 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.486 -1.234 . . . . 1.65 110.776 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -84.94 99.97 11.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.124 -0.695 . . . . 2.84 109.124 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.02 113.38 22.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.315 0.579 . . . . 1.37 111.329 -177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -103.66 144.61 31.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.045 -0.724 . . . . 0.81 109.045 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -102.03 118.45 36.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.443 0.639 . . . . 0.47 110.782 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -105.94 119.28 38.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.967 -1.015 . . . . 0.71 110.452 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 25.9 t-20 -93.18 110.07 21.58 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.595 -0.729 . . . . 0.79 109.591 176.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.3 t -72.31 -25.41 23.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.455 0.645 . . . . 0.46 110.669 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.5 mtp180 -62.71 -55.13 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.285 -0.87 . . . . 3.29 111.829 -174.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -111.42 9.42 21.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.103 0.409 . . . . 1.33 112.103 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 tp 60.68 57.55 2.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.389 0.614 . . . . 1.84 110.036 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 22' ' ' ASN . 22.9 m -118.58 133.18 56.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.863 -0.608 . . . . 0.65 111.67 -173.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 p -109.22 123.13 48.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.198 -0.456 . . . . 1.35 110.589 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -140.45 149.43 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.46 111.077 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -102.47 52.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.6 110.043 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -147.72 124.64 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.258 -0.883 . . . . 2.85 109.652 -178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 10.9 ptt180 -65.76 131.25 94.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 3.14 110.718 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 32' ' ' ARG . 19.5 Cg_exo -65.12 117.83 4.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 123.431 2.754 . . . . 0.96 113.194 -173.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.9 t -141.87 -176.06 4.64 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.772 -0.825 . . . . 2.73 108.772 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp 40.06 64.16 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 122.374 1.083 . . . . 5.11 111.454 -175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.507 HG21 ' HG3' ' A' ' 4' ' ' PRO . 32.5 pt -92.26 153.63 3.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.994 -1.003 . . . . 4.05 110.432 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.09 92.34 5.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.858 -0.61 . . . . 6.01 110.887 -175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.122 0 CA-C-N 114.891 -1.049 . . . . 8.43 108.44 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.594 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 21.1 mmt . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 111.554 0.205 . . . . 4.62 111.554 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.594 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 17.1 Cg_exo -68.05 157.99 59.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.102 1.868 . . . . 2.07 111.341 175.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.446 ' HB3' ' HG2' ' A' ' 33' ' ' PRO . 1.5 pt? -135.59 120.65 13.55 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-O 120.992 0.425 . . . . 1.86 110.261 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.499 ' HD3' HD12 ' A' ' 36' ' ' ILE . 44.4 Cg_endo -73.77 148.76 41.8 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 122.308 2.005 . . . . 0.62 110.863 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 10.5 Cg_endo -53.04 140.93 58.81 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.078 2.519 . . . . 0.72 112.284 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.57 -1.06 52.96 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.856 -0.687 . . . . 0.35 112.673 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -97.74 121.79 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.799 0.333 . . . . 0.48 110.248 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 7.3 tp10 -103.71 118.38 36.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.235 -0.439 . . . . 1.84 110.156 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -109.69 106.2 15.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.995 -0.548 . . . . 3.2 109.783 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -141.94 164.16 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 2.27 111.043 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 17' ' ' LYS . 13.7 p -101.51 137.35 39.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 1.33 109.989 177.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' A' ' 13' ' ' VAL . 29.1 p-10 -96.03 -83.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.213 0.82 . . . . 2.22 113.213 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.438 ' H ' ' CG ' ' A' ' 12' ' ' ASP . 44.9 t -79.35 -58.6 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.454 0.645 . . . . 2.93 110.643 -171.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -161.13 79.75 0.6 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.185 -0.916 . . . . 6.33 110.893 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.67 -20.96 24.96 Favored Glycine 0 C--N 1.317 -0.475 0 CA-C-N 115.558 -0.747 . . . . 1.65 113.402 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -70.79 124.71 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.106 -0.702 . . . . 2.84 109.106 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -99.44 115.23 39.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.216 0.531 . . . . 1.37 111.299 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -96.9 151.3 19.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.79 -0.641 . . . . 0.81 109.58 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -114.6 117.81 31.94 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.22 0.533 . . . . 0.47 109.575 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 13.9 t80 -112.38 106.26 14.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.46 -0.791 . . . . 0.71 110.832 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -77.62 95.61 4.62 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.178 -1.045 . . . . 0.79 108.178 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -63.09 -32.62 56.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.61 -0.723 . . . . 0.46 110.812 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 5' ' ' PRO . 20.4 mtp180 -63.67 -35.15 79.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.689 -0.687 . . . . 3.29 111.751 -173.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -114.1 2.06 14.8 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.594 -0.442 . . . . 1.33 111.59 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.4 tp 59.12 69.62 0.71 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.423 -0.808 . . . . 1.84 110.973 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.6 m -142.61 127.14 17.88 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.084 -0.385 . . . . 0.65 111.215 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 p -107.91 112.8 25.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 1.35 110.388 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -131.7 170.0 15.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.154 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -98.99 3.16 46.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.486 0.66 . . . . 0.6 109.427 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -84.08 127.3 33.81 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.075 -0.966 . . . . 2.85 110.373 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -60.02 155.28 44.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.061 -0.518 . . . . 3.14 110.313 174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.446 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 71.0 Cg_exo -43.21 105.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.379 2.719 . . . . 0.96 113.206 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.4 147.34 37.94 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.106 -0.952 . . . . 2.73 110.002 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.1 mm 68.85 81.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.489 0.662 . . . . 5.11 109.308 -173.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.499 HD12 ' HD3' ' A' ' 4' ' ' PRO . 25.0 mm -80.79 122.5 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 4.05 109.937 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.54 140.67 53.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 6.01 111.191 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.718 -0.658 . . . . 8.43 109.603 178.085 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.602 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 48.5 ttm . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 119.502 -0.285 . . . . 4.62 111.66 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 15.3 Cg_exo -69.7 157.42 60.56 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.163 1.909 . . . . 2.07 112.76 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.899 ' HG ' ' HG2' ' A' ' 33' ' ' PRO . 7.8 mp -119.73 120.32 30.64 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.916 -0.772 . . . . 1.86 108.916 177.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 19.6 Cg_endo -79.9 142.44 15.71 Favored 'Trans proline' 0 N--CA 1.443 -1.448 0 C-N-CA 121.763 1.642 . . . . 0.62 110.668 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -41.9 132.25 4.24 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.456 2.77 . . . . 0.72 112.453 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.76 -12.26 56.36 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.672 -0.695 . . . . 0.35 112.27 -173.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 22' ' ' ASN . 85.4 m95 -99.47 120.94 40.44 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.977 0.417 . . . . 0.48 110.72 173.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.47 121.83 37.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.73 -0.668 . . . . 1.84 110.749 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.668 ' HG3' HD21 ' A' ' 3' ' ' LEU . 84.4 mtm180 -83.2 106.15 14.76 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.565 -0.902 . . . . 3.2 108.565 172.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -109.45 134.26 52.08 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 2.27 111.25 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.81 HG22 HG22 ' A' ' 18' ' ' VAL . 30.5 p -107.73 117.32 33.79 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.169 -0.923 . . . . 1.33 109.122 176.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.519 ' HB2' ' HE1' ' A' ' 19' ' ' TYR . 18.6 t70 -100.09 -79.1 0.5 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.513 -0.475 . . . . 2.22 110.897 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.954 ' HB ' ' HD3' ' A' ' 17' ' ' LYS . 5.6 t -81.11 50.69 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 121.247 0.546 . . . . 2.93 111.304 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 47.23 60.01 3.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.038 -0.983 . . . . 6.33 112.712 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.41 -38.16 0.89 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.349 -0.929 . . . . 1.65 112.395 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.954 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 3.3 mptp? -74.41 101.48 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.669 -0.493 . . . . 2.84 109.669 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.81 HG22 HG22 ' A' ' 11' ' ' THR . 14.2 t -97.32 98.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 1.37 109.978 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.519 ' HE1' ' HB2' ' A' ' 12' ' ' ASP . 42.7 p90 -98.21 141.94 30.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.637 -0.505 . . . . 0.81 109.637 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.636 ' CD2' ' HG2' ' A' ' 9' ' ' ARG . 44.9 m-85 -98.22 117.59 32.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.382 -0.599 . . . . 0.47 109.382 -177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CD1' HG23 ' A' ' 28' ' ' THR . 49.1 t80 -115.04 119.65 37.19 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.62 -0.718 . . . . 0.71 111.291 -173.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HB2' ' CH2' ' A' ' 7' ' ' TRP . 46.5 t-20 -89.46 109.55 20.47 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.183 -1.043 . . . . 0.79 108.183 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.74 -18.76 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.031 -0.531 . . . . 0.46 111.115 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.59 -40.8 22.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.207 -0.451 . . . . 3.29 111.486 -176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.4 p -102.48 -7.8 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.807 0.337 . . . . 1.33 111.556 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp 63.33 42.27 7.03 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 1.84 110.713 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -105.74 125.4 50.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.932 -0.576 . . . . 0.65 111.103 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -108.4 110.77 22.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.149 0.499 . . . . 1.35 110.145 174.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -129.49 159.43 36.33 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.46 110.539 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -92.0 -3.44 55.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 0.6 109.3 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.39 123.65 28.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.263 -0.88 . . . . 2.85 109.486 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.63 143.01 98.48 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.822 -0.436 . . . . 3.14 109.822 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.899 ' HG2' ' HG ' ' A' ' 3' ' ' LEU . 8.3 Cg_exo -30.22 103.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 124.96 3.773 . . . . 0.96 114.19 -175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 p -79.03 103.68 9.14 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.879 -1.055 . . . . 2.73 111.221 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.59 112.16 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 5.11 110.387 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.6 mt 69.07 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 O-C-N 123.898 0.749 . . . . 4.05 111.289 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.9 mt -81.24 126.8 31.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.787 -0.642 . . . . 6.01 110.738 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.191 -0.909 . . . . 8.43 109.598 176.125 . . . . . . . . 0 0 . 1 stop_ save_